3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine

C70H69N29O9S7 — CID 161098841

About 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine

3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 161098841) has the molecular formula C70H69N29O9S7 and a molecular weight of 1684.98 g/mol. Its IUPAC name is 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 161098841
• Molecular Formula: C70H69N29O9S7
• Molecular Weight: 1684.98 g/mol
• Exact Mass: 1683.39
• IUPAC Name: 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine
• SMILES: CC(C)n1c(-n2nc(Nc3cccc(S(N)(=O)=O)c3)nc2N)nc2ccccc21.CNS(=O)(=O)c1cccc(Nc2nc(N)n(-c3nc4ccccc4s3)n2)c1.Nc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1-c1nc2ccccc2s1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ncc(-c2ccccc2)s1
• InChI: InChI=1S/C19H19N7O3S2.C18H20N8O2S.C17H15N7O2S2.C16H15N7O2S2/c20-17-23-18(24-26(17)19-22-15-3-1-2-4-16(15)30-19)21-13-5-7-14(8-6-13)31(27,28)25-9-11-29-12-10-25;1-11(2)25-15-9-4-3-8-14(15)22-18(25)26-16(19)23-17(24-26)21-12-6-5-7-13(10-12)29(20,27)28;18-15-22-16(21-12-6-8-13(9-7-12)28(19,25)26)23-24(15)17-20-10-14(27-17)11-4-2-1-3-5-11;1-18-27(24,25)11-6-4-5-10(9-11)19-15-21-14(17)23(22-15)16-20-12-7-2-3-8-13(12)26-16/h1-8H,9-12H2,(H3,20,21,23,24);3-11H,1-2H3,(H2,20,27,28)(H3,19,21,23,24);1-10H,(H2,19,25,26)(H3,18,21,22,23);2-9,18H,1H3,(H3,17,19,21,22)
• InChIKey: UIDTXOSOJGDRPB-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 544.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1684.98
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine (CID 161098841) is 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine is CC(C)n1c(-n2nc(Nc3cccc(S(N)(=O)=O)c3)nc2N)nc2ccccc21.CNS(=O)(=O)c1cccc(Nc2nc(N)n(-c3nc4ccccc4s3)n2)c1.Nc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1-c1nc2ccccc2s1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ncc(-c2ccccc2)s1.

What is the InChIKey of 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine?

The InChIKey is UIDTXOSOJGDRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3S2.C18H20N8O2S.C17H15N7O2S2.C16H15N7O2S2/c20-17-23-18(24-26(17)19-22-15-3-1-2-4-16(15)30-19)21-13-5-7-14(8-6-13)31(27,28)25-9-11-29-12-10-25;1-11(2)25-15-9-4-3-8-14(15)22-18(25)26-16(19)23-17(24-26)21-12-6-5-7-13(10-12)29(20,27)28;18-15-22-16(21-12-6-8-13(9-7-12)28(19,25)26)23-24(15)17-20-10-14(27-17)11-4-2-1-3-5-11;1-18-27(24,25)11-6-4-5-10(9-11)19-15-21-14(17)23(22-15)16-20-12-7-2-3-8-13(12)26-16/h1-8H,9-12H2,(H3,20,21,23,24);3-11H,1-2H3,(H2,20,27,28)(H3,19,21,23,24);1-10H,(H2,19,25,26)(H3,18,21,22,23);2-9,18H,1H3,(H3,17,19,21,22).

What are the key properties of 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine?

3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1684.98 g/mol, XLogP of 8.87, 20 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide;4-[[5-amino-1-(5-phenyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;3-[[5-amino-1-(1-propan-2-ylbenzimidazol-2-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-(1,3-benzothiazol-2-yl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 161098841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).