N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide

C17H21N3O3S3 — CID 90532340

About N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide

N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide (PubChem CID 90532340) has the molecular formula C17H21N3O3S3 and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide
• PubChem CID: 90532340
• Molecular Formula: C17H21N3O3S3
• Molecular Weight: 411.57 g/mol
• Exact Mass: 411.07
• IUPAC Name: N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CCCCC1)CC2)c1ccsc1
• InChI: InChI=1S/C17H21N3O3S3/c21-16(12-7-9-24-11-12)19-17-18-14-6-8-20(10-15(14)25-17)26(22,23)13-4-2-1-3-5-13/h7,9,11,13H,1-6,8,10H2,(H,18,19,21)
• InChIKey: WBSCMIFOZWLEAT-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.57
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide (CID 90532340) is N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide.

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

The canonical SMILES for N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CCCCC1)CC2)c1ccsc1.

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

The InChIKey is WBSCMIFOZWLEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S3/c21-16(12-7-9-24-11-12)19-17-18-14-6-8-20(10-15(14)25-17)26(22,23)13-4-2-1-3-5-13/h7,9,11,13H,1-6,8,10H2,(H,18,19,21).

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

N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 90532340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).