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

C19H19N3O4S3 — CID 90532304

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

N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (PubChem CID 90532304) has the molecular formula C19H19N3O4S3 and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
• PubChem CID: 90532304
• Molecular Formula: C19H19N3O4S3
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.05
• IUPAC Name: N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
• SMILES: CCOc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccsc4)sc3C2)cc1
• InChI: InChI=1S/C19H19N3O4S3/c1-2-26-14-3-5-15(6-4-14)29(24,25)22-9-7-16-17(11-22)28-19(20-16)21-18(23)13-8-10-27-12-13/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,20,21,23)
• InChIKey: QDEDYFGQIQXXBV-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (CID 90532304) is N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

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

The canonical SMILES for N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccsc4)sc3C2)cc1.

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

The InChIKey is QDEDYFGQIQXXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S3/c1-2-26-14-3-5-15(6-4-14)29(24,25)22-9-7-16-17(11-22)28-19(20-16)21-18(23)13-8-10-27-12-13/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,20,21,23).

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

N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 90532304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).