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

C19H23N3O5S2 — CID 90526349

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

N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (PubChem CID 90526349) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
• PubChem CID: 90526349
• Molecular Formula: C19H23N3O5S2
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.11
• IUPAC Name: N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
• SMILES: CCOc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)C4CCCO4)sc3C2)cc1
• InChI: InChI=1S/C19H23N3O5S2/c1-2-26-13-5-7-14(8-6-13)29(24,25)22-10-9-15-17(12-22)28-19(20-15)21-18(23)16-4-3-11-27-16/h5-8,16H,2-4,9-12H2,1H3,(H,20,21,23)
• InChIKey: BMPRZQDRRUBRHW-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 97.83 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	437.54
LogP ≤ 5	2.41
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]oxolane-2-carboxamide?

The IUPAC name of N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (CID 90526349) is N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-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]oxolane-2-carboxamide?

The canonical SMILES for N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is CCOc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)C4CCCO4)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]oxolane-2-carboxamide?

The InChIKey is BMPRZQDRRUBRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-2-26-13-5-7-14(8-6-13)29(24,25)22-10-9-15-17(12-22)28-19(20-15)21-18(23)16-4-3-11-27-16/h5-8,16H,2-4,9-12H2,1H3,(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]oxolane-2-carboxamide?

N-[5-(4-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.41, 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]oxolane-2-carboxamide is sourced from PubChem (CID 90526349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).