1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine

C132H163F2N41O18S19 — CID 159868412

About 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine

1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine (PubChem CID 159868412) has the molecular formula C132H163F2N41O18S19 and a molecular weight of 3259.29 g/mol. Its IUPAC name is 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine.

Molecular Properties

• Compound Name: 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine
• PubChem CID: 159868412
• Molecular Formula: C132H163F2N41O18S19
• Molecular Weight: 3259.29 g/mol
• Exact Mass: 3255.78
• IUPAC Name: 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine
• SMILES: C=S(N)(=O)c1ccc2nc(N[C@H]3CC[C@H](Nc4ncc(SC)cn4)C3)sc2c1.CC(=O)c1ccc2nc(NC[C@@H](C)CNc3ncc(SC(F)F)cn3)sc2c1.CSc1cnc(NCC(C)(O)CNc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)nc1.CSc1cnc(NCC(CO)CNc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)nc1.CSc1cnc(NCC(O)CNc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)nc1.CSc1cnc(NC[C@H](O)CNc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N(C)C)cc4s3)C2)nc1
• InChI: InChI=1S/2C20H26N6O4S3.C20H24N6OS2.C19H24N6O4S3.C18H19F2N5OS2.C18H22N6OS3.C17H22N6O3S3/c1-20(27,12-23-18-21-10-14(31-2)11-22-18)13-24-19-25-16-4-3-15(9-17(16)32-19)33(28,29)26-5-7-30-8-6-26;1-31-15-11-22-19(23-12-15)21-9-14(13-27)10-24-20-25-17-3-2-16(8-18(17)32-20)33(28,29)26-4-6-30-7-5-26;1-26(2)18(27)12-4-7-16-17(8-12)29-20(25-16)24-14-6-5-13(9-14)23-19-21-10-15(28-3)11-22-19;1-30-14-11-21-18(22-12-14)20-9-13(26)10-23-19-24-16-3-2-15(8-17(16)31-19)32(27,28)25-4-6-29-7-5-25;1-10(6-21-17-22-8-13(9-23-17)27-16(19)20)7-24-18-25-14-4-3-12(11(2)26)5-15(14)28-18;1-26-13-9-20-17(21-10-13)22-11-3-4-12(7-11)23-18-24-15-6-5-14(28(2,19)25)8-16(15)27-18;1-23(2)29(25,26)13-4-5-14-15(6-13)28-17(22-14)21-8-11(24)7-18-16-19-9-12(27-3)10-20-16/h3-4,9-11,27H,5-8,12-13H2,1-2H3,(H,24,25)(H,21,22,23);2-3,8,11-12,14,27H,4-7,9-10,13H2,1H3,(H,24,25)(H,21,22,23);4,7-8,10-11,13-14H,5-6,9H2,1-3H3,(H,24,25)(H,21,22,23);2-3,8,11-13,26H,4-7,9-10H2,1H3,(H,23,24)(H,20,21,22);3-5,8-10,16H,6-7H2,1-2H3,(H,24,25)(H,21,22,23);5-6,8-12H,2-4,7H2,1H3,(H2,19,25)(H,23,24)(H,20,21,22);4-6,9-11,24H,7-8H2,1-3H3,(H,21,22)(H,18,19,20)/t;;13-,14-;;10-;11-,12-,28?;11-/m..0.000/s1
• InChIKey: NSAHZPWKNDEXKJ-GRKPFSOVSA-N
• XLogP: 19.64
• TPSA: 777.71 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 67
• Rotatable Bonds: 58
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3259.29
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	67

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine?

The IUPAC name of 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine (CID 159868412) is 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine.

What is the SMILES notation for 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine?

The canonical SMILES for 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine is C=S(N)(=O)c1ccc2nc(N[C@H]3CC[C@H](Nc4ncc(SC)cn4)C3)sc2c1.CC(=O)c1ccc2nc(NC[C@@H](C)CNc3ncc(SC(F)F)cn3)sc2c1.CSc1cnc(NCC(C)(O)CNc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)nc1.CSc1cnc(NCC(CO)CNc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)nc1.CSc1cnc(NCC(O)CNc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)nc1.CSc1cnc(NC[C@H](O)CNc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N(C)C)cc4s3)C2)nc1.

What is the InChIKey of 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine?

The InChIKey is NSAHZPWKNDEXKJ-GRKPFSOVSA-N. The full InChI is InChI=1S/2C20H26N6O4S3.C20H24N6OS2.C19H24N6O4S3.C18H19F2N5OS2.C18H22N6OS3.C17H22N6O3S3/c1-20(27,12-23-18-21-10-14(31-2)11-22-18)13-24-19-25-16-4-3-15(9-17(16)32-19)33(28,29)26-5-7-30-8-6-26;1-31-15-11-22-19(23-12-15)21-9-14(13-27)10-24-20-25-17-3-2-16(8-18(17)32-20)33(28,29)26-4-6-30-7-5-26;1-26(2)18(27)12-4-7-16-17(8-12)29-20(25-16)24-14-6-5-13(9-14)23-19-21-10-15(28-3)11-22-19;1-30-14-11-21-18(22-12-14)20-9-13(26)10-23-19-24-16-3-2-15(8-17(16)31-19)32(27,28)25-4-6-29-7-5-25;1-10(6-21-17-22-8-13(9-23-17)27-16(19)20)7-24-18-25-14-4-3-12(11(2)26)5-15(14)28-18;1-26-13-9-20-17(21-10-13)22-11-3-4-12(7-11)23-18-24-15-6-5-14(28(2,19)25)8-16(15)27-18;1-23(2)29(25,26)13-4-5-14-15(6-13)28-17(22-14)21-8-11(24)7-18-16-19-9-12(27-3)10-20-16/h3-4,9-11,27H,5-8,12-13H2,1-2H3,(H,24,25)(H,21,22,23);2-3,8,11-12,14,27H,4-7,9-10,13H2,1H3,(H,24,25)(H,21,22,23);4,7-8,10-11,13-14H,5-6,9H2,1-3H3,(H,24,25)(H,21,22,23);2-3,8,11-13,26H,4-7,9-10H2,1H3,(H,23,24)(H,20,21,22);3-5,8-10,16H,6-7H2,1-2H3,(H,24,25)(H,21,22,23);5-6,8-12H,2-4,7H2,1H3,(H2,19,25)(H,23,24)(H,20,21,22);4-6,9-11,24H,7-8H2,1-3H3,(H,21,22)(H,18,19,20)/t;;13-,14-;;10-;11-,12-,28?;11-/m..0.000/s1.

What are the key properties of 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine?

1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine has a molecular weight of 3259.29 g/mol, XLogP of 19.64, 58 rotatable bonds, 19 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]ethanone;N,N-dimethyl-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;2-[[(2S)-2-hydroxy-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-methyl-1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;2-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-1-ol;1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol;trans-(1S,3S)-3-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-1-N-(5-methylsulfanylpyrimidin-2-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 159868412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).