2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

C15H11FN2O3S2 — CID 54737202

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H11FN2O3S2/c16-8-3-1-2-7(4-8)6-22-15-11(14(17)21)12-13(23-15)9(19)5-10(20)18-12/h1-5H,6H2,(H2,17,21)(H2,18,19,20)
InChIKeyDWWCIGUEJQUEJG-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.83
Rot. Bonds4

About 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54737202) has the molecular formula C15H11FN2O3S2 and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54737202
Molecular FormulaC15H11FN2O3S2
Molecular Weight350.40 g/mol
Exact Mass350.02
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H11FN2O3S2/c16-8-3-1-2-7(4-8)6-22-15-11(14(17)21)12-13(23-15)9(19)5-10(20)18-12/h1-5H,6H2,(H2,17,21)(H2,18,19,20)
InChIKeyDWWCIGUEJQUEJG-UHFFFAOYSA-N
XLogP2.83
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide with MolForge

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Related Compounds

3-(Benzoylamino)-2-thiophenecarboxylic acid
CID 2764129
3-[(4-Fluorobenzoyl)amino]-4-methyl-2-thiophenecarboxylic acid
CID 3820940
4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one
CID 54692129
7-Hydroxy-6-phenyl-4H-thieno[3,2-b]
CID 54724699
5,7-Dihydroxy-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}thieno[3,2-b]pyridine-3-carboxamide
CID 54728217
5,7-Dihydroxy-2-(methylsulfanyl)thieno[3,2-b]pyridine-3-carboxamide
CID 54728288
2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}-5,7-dihydroxythieno[3,2-b]pyridine-3-carboxamide
CID 54728836
5,7-Dihydroxy-2-[(2-oxopropyl)sulfanyl]thieno[3,2-b]pyridine-3-carboxamide
CID 54728865
7-hydroxy-3-methyl-6-phenyl-4H-thieno[3,2-b]pyridin-5-one
CID 178306671
2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5,7-dihydroxythieno[3,2-b]pyridine-3-carboxamide
CID 54726259
2-[(2,6-Difluorobenzyl)sulfanyl]-5,7-dihydroxythieno[3,2-b]pyridine-3-carboxamide
CID 54728866
3-[(4-Fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771129

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54737202) is 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(SCc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is DWWCIGUEJQUEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S2/c16-8-3-1-2-7(4-8)6-22-15-11(14(17)21)12-13(23-15)9(19)5-10(20)18-12/h1-5H,6H2,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54737202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).