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

C18H16ClN3O3S3 — CID 90527279

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

N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 90527279) has the molecular formula C18H16ClN3O3S3 and a molecular weight of 454.00 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• PubChem CID: 90527279
• Molecular Formula: C18H16ClN3O3S3
• Molecular Weight: 454.00 g/mol
• Exact Mass: 453.00
• IUPAC Name: N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(Cl)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1
• InChI: InChI=1S/C18H16ClN3O3S3/c1-11-4-5-12(19)9-16(11)28(24,25)22-7-6-13-15(10-22)27-18(20-13)21-17(23)14-3-2-8-26-14/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,23)
• InChIKey: TUJFGUHRPWXPCB-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.00
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 90527279) is N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is Cc1ccc(Cl)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1.

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

The InChIKey is TUJFGUHRPWXPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S3/c1-11-4-5-12(19)9-16(11)28(24,25)22-7-6-13-15(10-22)27-18(20-13)21-17(23)14-3-2-8-26-14/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,23).

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

N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 454.00 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90527279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).