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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
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100-79-8nonelownoneC6H12O3132.158-9.8672
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100-83-4highnonelowC7H6O2122.123-4.1407
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
1000-50-6nonenonehighC6H15ClSi150.724-84.768
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100012-67-7highhighhighC12H12O5236.222-19.846
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100004-54-4nonehighnoneC4H8Te183.708-3.9699
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100011-01-6nonenonenoneC9H18O2158.24-2.3462
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100-27-6lownonenoneC8H9NO3167.163-9.2735
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100-65-2highnonenoneC6H7NO109.128-1.548
100-75-4highhighhighC5H10N2O114.147-0.86877
100007-62-3nonenonehighC8H13NO139.197-8.1398
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100-47-0highnonehighC7H5N103.124-6.0498
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-61-8highnonenoneC7H9N107.155-0.23765
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100011-00-5nonenonenoneC15H24O2236.354-18.044
100-69-6nonenonenoneC7H7N105.14-4.4598
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100004-80-6nonenonenoneC13H11NO3229.234-1.3547