5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate

C93H90F2N20O9S8 — CID 165067490

About 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate

5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate (PubChem CID 165067490) has the molecular formula C93H90F2N20O9S8 and a molecular weight of 1926.41 g/mol. Its IUPAC name is 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate.

Molecular Properties

• Compound Name: 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate
• PubChem CID: 165067490
• Molecular Formula: C93H90F2N20O9S8
• Molecular Weight: 1926.41 g/mol
• Exact Mass: 1924.49
• IUPAC Name: 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate
• SMILES: CCC(CC)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CCCC(C)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CCOC(=O)Nc1nc2ccc(-c3cnc4snc(C(=O)NC5CCCCC5)c4c3)cc2s1.O=C(NC1CCC(F)(F)CC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12
• InChI: InChI=1S/C24H21F2N5O2S2.C23H23N5O3S2.2C23H23N5O2S2/c25-24(26)7-5-15(6-8-24)28-21(33)19-16-9-14(11-27-22(16)35-31-19)13-3-4-17-18(10-13)34-23(29-17)30-20(32)12-1-2-12;1-2-31-23(30)27-22-26-17-9-8-13(11-18(17)32-22)14-10-16-19(28-33-21(16)24-12-14)20(29)25-15-6-4-3-5-7-15;1-3-4-12(2)25-21(30)19-16-9-15(11-24-22(16)32-28-19)14-7-8-17-18(10-14)31-23(26-17)27-20(29)13-5-6-13;1-3-15(4-2)25-21(30)19-16-9-14(11-24-22(16)32-28-19)13-7-8-17-18(10-13)31-23(26-17)27-20(29)12-5-6-12/h3-4,9-12,15H,1-2,5-8H2,(H,28,33)(H,29,30,32);8-12,15H,2-7H2,1H3,(H,25,29)(H,26,27,30);7-13H,3-6H2,1-2H3,(H,25,30)(H,26,27,29);7-12,15H,3-6H2,1-2H3,(H,25,30)(H,26,27,29)
• InChIKey: SFALCHYDLOVGHC-UHFFFAOYSA-N
• XLogP: 21.69
• TPSA: 396.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.41
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate?

The IUPAC name of 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate (CID 165067490) is 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate.

What is the SMILES notation for 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate?

The canonical SMILES for 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate is CCC(CC)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CCCC(C)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CCOC(=O)Nc1nc2ccc(-c3cnc4snc(C(=O)NC5CCCCC5)c4c3)cc2s1.O=C(NC1CCC(F)(F)CC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.

What is the InChIKey of 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate?

The InChIKey is SFALCHYDLOVGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2S2.C23H23N5O3S2.2C23H23N5O2S2/c25-24(26)7-5-15(6-8-24)28-21(33)19-16-9-14(11-27-22(16)35-31-19)13-3-4-17-18(10-13)34-23(29-17)30-20(32)12-1-2-12;1-2-31-23(30)27-22-26-17-9-8-13(11-18(17)32-22)14-10-16-19(28-33-21(16)24-12-14)20(29)25-15-6-4-3-5-7-15;1-3-4-12(2)25-21(30)19-16-9-15(11-24-22(16)32-28-19)14-7-8-17-18(10-14)31-23(26-17)27-20(29)13-5-6-13;1-3-15(4-2)25-21(30)19-16-9-14(11-24-22(16)32-28-19)13-7-8-17-18(10-13)31-23(26-17)27-20(29)12-5-6-12/h3-4,9-12,15H,1-2,5-8H2,(H,28,33)(H,29,30,32);8-12,15H,2-7H2,1H3,(H,25,29)(H,26,27,30);7-13H,3-6H2,1-2H3,(H,25,30)(H,26,27,29);7-12,15H,3-6H2,1-2H3,(H,25,30)(H,26,27,29).

What are the key properties of 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate?

5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate has a molecular weight of 1926.41 g/mol, XLogP of 21.69, 24 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-2-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-yl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)-[1,2]thiazolo[5,4-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate is sourced from PubChem (CID 165067490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).