1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide

C18H23ClN4O3S3 — CID 18567165

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 18567165) has the molecular formula C18H23ClN4O3S3 and a molecular weight of 475.06 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
• PubChem CID: 18567165
• Molecular Formula: C18H23ClN4O3S3
• Molecular Weight: 475.06 g/mol
• Exact Mass: 474.06
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
• SMILES: CCN1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)sc2C1
• InChI: InChI=1S/C18H23ClN4O3S3/c1-2-22-8-7-13-14(11-22)27-18(20-13)21-17(24)12-5-9-23(10-6-12)29(25,26)16-4-3-15(19)28-16/h3-4,12H,2,5-11H2,1H3,(H,20,21,24)
• InChIKey: FHBPTCDDEHZDPN-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.06
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide (CID 18567165) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide is CCN1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)sc2C1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide?

The InChIKey is FHBPTCDDEHZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S3/c1-2-22-8-7-13-14(11-22)27-18(20-13)21-17(24)12-5-9-23(10-6-12)29(25,26)16-4-3-15(19)28-16/h3-4,12H,2,5-11H2,1H3,(H,20,21,24).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide?

1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 475.06 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 18567165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).