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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
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100011-01-6nonenonenoneC9H18O2158.24-2.3462
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100-48-1nonenonenoneC6H4N2104.112-6.0498
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000-84-6nonenonehighC4H9NO87.1215-6.3779
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100-12-9nonenonenoneC8H9NO2151.164-7.7443
100-68-5nonenonenoneC7H8S124.207-1.735
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100004-54-4nonehighnoneC4H8Te183.708-3.9699
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
1000284-53-6nonenonehighC18H36O2284.482-15.583
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100-69-6nonenonenoneC7H7N105.14-4.4598
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000-57-3highnonelowC6H16SSn238.969-7.4261
100-39-0highhighnoneC7H7Br171.037-7.8241
100033-28-1lownonehighC6H9N7179.186-2.3035
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100031-92-3nonenonehighC10H30OSi4278.691-53.619
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100-74-3highnonehighC6H13NO115.1753.7593
100-18-5nonenonenoneC12H18162.275-2.5088
100-41-4highhighhighC8H10106.167-2.68
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100-62-9lownonenoneC7H7N105.14-1.1924