2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

C15H12N2O3S2 — CID 54728840

IUPAC2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCc2ccccc2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H12N2O3S2/c16-14(20)11-12-13(9(18)6-10(19)17-12)22-15(11)21-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,20)(H2,17,18,19)
InChIKeyBCLFSFWDRWVFSC-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.69
Rot. Bonds4

About 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728840) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728840
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCc2ccccc2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H12N2O3S2/c16-14(20)11-12-13(9(18)6-10(19)17-12)22-15(11)21-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,20)(H2,17,18,19)
InChIKeyBCLFSFWDRWVFSC-UHFFFAOYSA-N
XLogP2.69
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728840) is 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(SCc2ccccc2)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is BCLFSFWDRWVFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c16-14(20)11-12-13(9(18)6-10(19)17-12)22-15(11)21-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,20)(H2,17,18,19).
What are the key properties of 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).