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

C15H13ClN4O4S3 — CID 71788200

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

N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71788200) has the molecular formula C15H13ClN4O4S3 and a molecular weight of 444.95 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 71788200
• Molecular Formula: C15H13ClN4O4S3
• Molecular Weight: 444.95 g/mol
• Exact Mass: 443.98
• IUPAC Name: N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccc(Cl)s2)CC3)no1
• InChI: InChI=1S/C15H13ClN4O4S3/c1-8-6-10(19-24-8)14(21)18-15-17-9-4-5-20(7-11(9)25-15)27(22,23)13-3-2-12(16)26-13/h2-3,6H,4-5,7H2,1H3,(H,17,18,21)
• InChIKey: LIEBDSYSPOICLN-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.95
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71788200) is N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccc(Cl)s2)CC3)no1.

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

The InChIKey is LIEBDSYSPOICLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4S3/c1-8-6-10(19-24-8)14(21)18-15-17-9-4-5-20(7-11(9)25-15)27(22,23)13-3-2-12(16)26-13/h2-3,6H,4-5,7H2,1H3,(H,17,18,21).

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

N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 444.95 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71788200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).