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

C97H93F2N17O10S7 — CID 164993116

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

5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate (PubChem CID 164993116) has the molecular formula C97H93F2N17O10S7 and a molecular weight of 1919.38 g/mol. Its IUPAC name is 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-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)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate
• PubChem CID: 164993116
• Molecular Formula: C97H93F2N17O10S7
• Molecular Weight: 1919.38 g/mol
• Exact Mass: 1917.53
• IUPAC Name: 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate
• SMILES: CCC(CC)NC(=O)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CCOC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.O=C(NC1CCC(F)(F)CC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCOCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)cn4c3)cc12
• InChI: InChI=1S/C25H22F2N4O2S2.C24H23N5O3S.C24H24N4O3S2.C24H24N4O2S2/c26-25(27)7-5-16(6-8-25)29-22(33)18-12-34-23-17(18)9-15(11-28-23)14-3-4-19-20(10-14)35-24(30-19)31-21(32)13-1-2-13;30-22(14-1-2-14)28-20-12-29-11-15(3-4-21(29)27-20)16-9-18-19(13-33-24(18)25-10-16)23(31)26-17-5-7-32-8-6-17;1-2-31-24(30)28-23-27-19-9-8-14(11-20(19)33-23)15-10-17-18(13-32-22(17)25-12-15)21(29)26-16-6-4-3-5-7-16;1-3-16(4-2)26-22(30)18-12-31-23-17(18)9-15(11-25-23)14-7-8-19-20(10-14)32-24(27-19)28-21(29)13-5-6-13/h3-4,9-13,16H,1-2,5-8H2,(H,29,33)(H,30,31,32);3-4,9-14,17H,1-2,5-8H2,(H,26,31)(H,28,30);8-13,16H,2-7H2,1H3,(H,26,29)(H,27,28,30);7-13,16H,3-6H2,1-2H3,(H,26,30)(H,27,28,29)
• InChIKey: HDNWZEXIKGIMKO-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 358.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1919.38
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-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)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate (CID 164993116) is 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-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)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-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)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate is CCC(CC)NC(=O)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CCOC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.O=C(NC1CCC(F)(F)CC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCOCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)cn4c3)cc12.

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

The InChIKey is HDNWZEXIKGIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2S2.C24H23N5O3S.C24H24N4O3S2.C24H24N4O2S2/c26-25(27)7-5-16(6-8-25)29-22(33)18-12-34-23-17(18)9-15(11-28-23)14-3-4-19-20(10-14)35-24(30-19)31-21(32)13-1-2-13;30-22(14-1-2-14)28-20-12-29-11-15(3-4-21(29)27-20)16-9-18-19(13-33-24(18)25-10-16)23(31)26-17-5-7-32-8-6-17;1-2-31-24(30)28-23-27-19-9-8-14(11-20(19)33-23)15-10-17-18(13-32-22(17)25-12-15)21(29)26-16-6-4-3-5-7-16;1-3-16(4-2)26-22(30)18-12-31-23-17(18)9-15(11-25-23)14-7-8-19-20(10-14)32-24(27-19)28-21(29)13-5-6-13/h3-4,9-13,16H,1-2,5-8H2,(H,29,33)(H,30,31,32);3-4,9-14,17H,1-2,5-8H2,(H,26,31)(H,28,30);8-13,16H,2-7H2,1H3,(H,26,29)(H,27,28,30);7-13,16H,3-6H2,1-2H3,(H,26,30)(H,27,28,29).

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

5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate has a molecular weight of 1919.38 g/mol, XLogP of 22.14, 22 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate is sourced from PubChem (CID 164993116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).