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

C19H19N3O5S2 — CID 90526783

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

N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 90526783) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• PubChem CID: 90526783
• Molecular Formula: C19H19N3O5S2
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.08
• IUPAC Name: N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1C
• InChI: InChI=1S/C19H19N3O5S2/c1-12-10-13(5-6-15(12)26-2)29(24,25)22-8-7-14-17(11-22)28-19(20-14)21-18(23)16-4-3-9-27-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21,23)
• InChIKey: VSQJQIWPHWFYEZ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 101.74 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	433.51
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 90526783) is N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1C.

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

The InChIKey is VSQJQIWPHWFYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-12-10-13(5-6-15(12)26-2)29(24,25)22-8-7-14-17(11-22)28-19(20-14)21-18(23)16-4-3-9-27-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21,23).

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

N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90526783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).