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1000018 51 8 | Cheminformatics

Chemical : 5-(Methanesulfonyl)-4-phenyl-1,3-thiazol-2-amine

Casrn : 1000018-51-8

MolName : 5-(Methanesulfonyl)-4-phenyl-1,3-thiazol-2-amine

MolecularFormula : C10H10N2O2S2

Smiles : CS(c1c(-c2ccccc2)nc(N)s1)(=O)=O

InChI : InChI=1S/C10H10N2O2S2/c1-16(13,14)9-8(12-10(11)15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12)

InChIK : MENYNNGOWMJUEG-UHFFFAOYSA-N

CanonicalSyTyLFy : 443d515a8f90b24d

TotalMolweight : 254.333

Molweight : 254.333

MonoisotopicMass : 254.018368

CLogP : 1.5645

CLogS : -3.637

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 177.08

Relative PSA : 0.42455

PolarSurfaceArea : 109.67

Druglikeness : 1.3137

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

Molecula Flexibility : 0.46955

Molecular Complexity : 0.75329

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 2

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 3

Aromatic Nitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100-96-9highnonenoneC7H10N2O138.169-1.7412
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-91-4nonenonehighC17H25NO3291.393.3475
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100016-58-8nonehighnoneC19H19NO5341.3621.8385
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100-46-9nonenonenoneC7H9N107.155-2.0712
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100-71-0nonenonenoneC7H9N107.155-2.2725
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-73-2highnonenoneC6H8O2112.128-6.3422
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731
100033-28-1lownonehighC6H9N7179.186-2.3035
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100-51-6highhighhighC7H8O108.14-2.2456
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100-28-7highlowlowC7H4N2O3164.12-21.552
100-92-5nonenonenoneC11H17N163.2631.1672
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-45-8nonenonehighC7H9N107.155-10.018
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100-38-9nonenonehighC6H15NS133.2580.17671
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100-56-1highlowlowC6H5ClHg313.149-2.3575
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000269-66-8nonenonenoneC12H20N4220.3190.5423
10002-97-8nonenonenoneC18H30O2278.4340.24997
100020-83-5nonenonelowC7H11O3B153.972-20.814
100-81-2nonenonenoneC8H11N121.182-2.1005