N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide

C52H62ClN9O3S2 — CID 159659380

About N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide

N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide (PubChem CID 159659380) has the molecular formula C52H62ClN9O3S2 and a molecular weight of 960.71 g/mol. Its IUPAC name is N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
• PubChem CID: 159659380
• Molecular Formula: C52H62ClN9O3S2
• Molecular Weight: 960.71 g/mol
• Exact Mass: 959.41
• IUPAC Name: N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
• SMILES: O=C(NC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12.O=C(NC1CCC(CCN2CCc3sc(N4CCOCC4)nc3C2)CC1)c1cccc2ncccc12
• InChI: InChI=1S/C28H35N5O2S.C24H27ClN4OS/c34-27(23-3-1-5-24-22(23)4-2-12-29-24)30-21-8-6-20(7-9-21)10-13-32-14-11-26-25(19-32)31-28(36-26)33-15-17-35-18-16-33;25-24-28-21-15-29(14-11-22(21)31-24)13-10-16-6-8-17(9-7-16)27-23(30)19-3-1-5-20-18(19)4-2-12-26-20/h1-5,12,20-21H,6-11,13-19H2,(H,30,34);1-5,12,16-17H,6-11,13-15H2,(H,27,30)
• InChIKey: MSPIZWGAVSLXQT-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 128.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	960.71
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?

The IUPAC name of N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide (CID 159659380) is N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide.

What is the SMILES notation for N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?

The canonical SMILES for N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide is O=C(NC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12.O=C(NC1CCC(CCN2CCc3sc(N4CCOCC4)nc3C2)CC1)c1cccc2ncccc12.

What is the InChIKey of N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?

The InChIKey is MSPIZWGAVSLXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2S.C24H27ClN4OS/c34-27(23-3-1-5-24-22(23)4-2-12-29-24)30-21-8-6-20(7-9-21)10-13-32-14-11-26-25(19-32)31-28(36-26)33-15-17-35-18-16-33;25-24-28-21-15-29(14-11-22(21)31-24)13-10-16-6-8-17(9-7-16)27-23(30)19-3-1-5-20-18(19)4-2-12-26-20/h1-5,12,20-21H,6-11,13-19H2,(H,30,34);1-5,12,16-17H,6-11,13-15H2,(H,27,30).

What are the key properties of N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?

N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide has a molecular weight of 960.71 g/mol, XLogP of 9.35, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-(2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide is sourced from PubChem (CID 159659380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).