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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
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000-50-6nonenonehighC6H15ClSi150.724-84.768
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100-66-3highnonehighC7H8O108.14-2.0846
1000269-65-7nonenonenoneC12H19N3205.3040.25629
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-92-5nonenonenoneC11H17N163.2631.1672
1000-30-2nonenonehighC9H16O140.225-7.4662
100-10-7nonehighhighC9H11NO149.192-1.8715
100-55-0nonenonenoneC6H7NO109.128-1.9045
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100033-28-1lownonehighC6H9N7179.186-2.3035
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100007-54-3nonenonenoneC28H30O13574.533-1.9839
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-63-0highhighnoneC6H8N2108.144-4.3224
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100-45-8nonenonehighC7H9N107.155-10.018
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100-62-9lownonenoneC7H7N105.14-1.1924
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100007-55-4nonenonenoneC35H39O19763.676-1.2907
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
100-52-7highhighhighC7H6O106.124-4.225
100-49-2nonenonenoneC7H14O114.187-9.3679
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100-64-1highhighnoneC6H11NO113.159-6.4182
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-57-2highlowlowC6H6OHg294.703-2.3891
100-13-0nonenonelowC8H7NO2149.149-10.212
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-75-4highhighhighC5H10N2O114.147-0.86877
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100-96-9highnonenoneC7H10N2O138.169-1.7412
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197