7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

C14H12N4O4S3 — CID 54728874

About 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728874) has the molecular formula C14H12N4O4S3 and a molecular weight of 396.48 g/mol. Its IUPAC name is 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
• PubChem CID: 54728874
• Molecular Formula: C14H12N4O4S3
• Molecular Weight: 396.48 g/mol
• Exact Mass: 396.00
• IUPAC Name: 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
• SMILES: Cc1csc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C(N)=O)n1
• InChI: InChI=1S/C14H12N4O4S3/c1-5-3-24-14(16-5)18-8(21)4-23-13-9(12(15)22)10-11(25-13)6(19)2-7(20)17-10/h2-3H,4H2,1H3,(H2,15,22)(H,16,18,21)(H2,17,19,20)
• InChIKey: UEBNPIVCWPXGEF-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 138.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.48
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?

The IUPAC name of 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728874) is 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

What is the SMILES notation for 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?

The canonical SMILES for 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is Cc1csc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C(N)=O)n1.

What is the InChIKey of 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?

The InChIKey is UEBNPIVCWPXGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S3/c1-5-3-24-14(16-5)18-8(21)4-23-13-9(12(15)22)10-11(25-13)6(19)2-7(20)17-10/h2-3H,4H2,1H3,(H2,15,22)(H,16,18,21)(H2,17,19,20).

What are the key properties of 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?

7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).