4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide

C27H41F2N5O4S — CID 176834018

About 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide

4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide (PubChem CID 176834018) has the molecular formula C27H41F2N5O4S and a molecular weight of 569.72 g/mol. Its IUPAC name is 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide
• PubChem CID: 176834018
• Molecular Formula: C27H41F2N5O4S
• Molecular Weight: 569.72 g/mol
• Exact Mass: 569.28
• IUPAC Name: 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide
• SMILES: COC1CCC(C#N)CC1C1CC(C)NCC1C(=O)NC1NC2CCN(C(=O)C3CC(OC(F)F)C3)CC2S1
• InChI: InChI=1S/C27H41F2N5O4S/c1-14-7-18(19-8-15(11-30)3-4-22(19)37-2)20(12-31-14)24(35)33-27-32-21-5-6-34(13-23(21)39-27)25(36)16-9-17(10-16)38-26(28)29/h14-23,26-27,31-32H,3-10,12-13H2,1-2H3,(H,33,35)
• InChIKey: HDHGJZVSOFAKON-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 115.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.72
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide?

The IUPAC name of 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide (CID 176834018) is 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide.

What is the SMILES notation for 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide?

The canonical SMILES for 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide is COC1CCC(C#N)CC1C1CC(C)NCC1C(=O)NC1NC2CCN(C(=O)C3CC(OC(F)F)C3)CC2S1.

What is the InChIKey of 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide?

The InChIKey is HDHGJZVSOFAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41F2N5O4S/c1-14-7-18(19-8-15(11-30)3-4-22(19)37-2)20(12-31-14)24(35)33-27-32-21-5-6-34(13-23(21)39-27)25(36)16-9-17(10-16)38-26(28)29/h14-23,26-27,31-32H,3-10,12-13H2,1-2H3,(H,33,35).

What are the key properties of 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide?

4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide has a molecular weight of 569.72 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-cyano-2-methoxycyclohexyl)-N-[5-[3-(difluoromethoxy)cyclobutanecarbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 176834018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).