5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate

C94H91N19O10S6 — CID 165105866

About 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate

5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 165105866) has the molecular formula C94H91N19O10S6 and a molecular weight of 1839.29 g/mol. Its IUPAC name is 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

• Compound Name: 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
• PubChem CID: 165105866
• Molecular Formula: C94H91N19O10S6
• Molecular Weight: 1839.29 g/mol
• Exact Mass: 1837.55
• IUPAC Name: 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
• SMILES: CC(=O)Nc1nc2ccc(-c3cnc4snc(C(=O)NC5CCCCC5)c4c3)cc2s1.CCC(CC)OC(=O)n1ccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc21.O=C(NC1CCCCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)NC5CCOCC5)c4c3)cc2s1)C1CC1
• InChI: InChI=1S/C24H23N5O3S.C24H23N5O2S2.C24H24N4O3S.C22H21N5O2S2/c30-22(14-1-2-14)28-23-27-19-4-3-15(12-21(19)33-23)16-11-20-18(25-13-16)5-8-29(20)24(31)26-17-6-9-32-10-7-17;30-21(13-6-7-13)28-24-27-18-9-8-14(11-19(18)32-24)15-10-17-20(29-33-23(17)25-12-15)22(31)26-16-4-2-1-3-5-16;1-3-17(4-2)31-24(30)28-10-9-18-20(28)11-16(13-25-18)15-7-8-19-21(12-15)32-23(26-19)27-22(29)14-5-6-14;1-12(28)24-22-26-17-8-7-13(10-18(17)30-22)14-9-16-19(27-31-21(16)23-11-14)20(29)25-15-5-3-2-4-6-15/h3-5,8,11-14,17H,1-2,6-7,9-10H2,(H,26,31)(H,27,28,30);8-13,16H,1-7H2,(H,26,31)(H,27,28,30);7-14,17H,3-6H2,1-2H3,(H,26,27,29);7-11,15H,2-6H2,1H3,(H,25,29)(H,24,26,28)
• InChIKey: ZCOZLIVHQSVOKB-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 377.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1839.29
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate?

The IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate (CID 165105866) is 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate.

What is the SMILES notation for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate?

The canonical SMILES for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate is CC(=O)Nc1nc2ccc(-c3cnc4snc(C(=O)NC5CCCCC5)c4c3)cc2s1.CCC(CC)OC(=O)n1ccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc21.O=C(NC1CCCCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)NC5CCOCC5)c4c3)cc2s1)C1CC1.

What is the InChIKey of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate?

The InChIKey is ZCOZLIVHQSVOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S.C24H23N5O2S2.C24H24N4O3S.C22H21N5O2S2/c30-22(14-1-2-14)28-23-27-19-4-3-15(12-21(19)33-23)16-11-20-18(25-13-16)5-8-29(20)24(31)26-17-6-9-32-10-7-17;30-21(13-6-7-13)28-24-27-18-9-8-14(11-19(18)32-24)15-10-17-20(29-33-23(17)25-12-15)22(31)26-16-4-2-1-3-5-16;1-3-17(4-2)31-24(30)28-10-9-18-20(28)11-16(13-25-18)15-7-8-19-21(12-15)32-23(26-19)27-22(29)14-5-6-14;1-12(28)24-22-26-17-8-7-13(10-18(17)30-22)14-9-16-19(27-31-21(16)23-11-14)20(29)25-15-5-3-2-4-6-15/h3-5,8,11-14,17H,1-2,6-7,9-10H2,(H,26,31)(H,27,28,30);8-13,16H,1-7H2,(H,26,31)(H,27,28,30);7-14,17H,3-6H2,1-2H3,(H,26,27,29);7-11,15H,2-6H2,1H3,(H,25,29)(H,24,26,28).

What are the key properties of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate?

5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 1839.29 g/mol, XLogP of 20.60, 19 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)pyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-yl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 165105866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).