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

C18H17N3O4S2 — CID 50832404

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

N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 50832404) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• PubChem CID: 50832404
• Molecular Formula: C18H17N3O4S2
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.07
• IUPAC Name: N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1
• InChI: InChI=1S/C18H17N3O4S2/c1-12-2-4-14(5-3-12)27(23,24)21-8-6-15-16(10-21)26-18(19-15)20-17(22)13-7-9-25-11-13/h2-5,7,9,11H,6,8,10H2,1H3,(H,19,20,22)
• InChIKey: GGYJESPPRABMPT-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 50832404) is N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

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

The canonical SMILES for N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1.

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

The InChIKey is GGYJESPPRABMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-12-2-4-14(5-3-12)27(23,24)21-8-6-15-16(10-21)26-18(19-15)20-17(22)13-7-9-25-11-13/h2-5,7,9,11H,6,8,10H2,1H3,(H,19,20,22).

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

N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 50832404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).