2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

C15H10F2N2O3S2 — CID 54728866

IUPAC2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCc2c(F)cccc2F)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H10F2N2O3S2/c16-7-2-1-3-8(17)6(7)5-23-15-11(14(18)22)12-13(24-15)9(20)4-10(21)19-12/h1-4H,5H2,(H2,18,22)(H2,19,20,21)
InChIKeyVMVQHAPFTAXUHQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.96
Rot. Bonds4

About 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728866) has the molecular formula C15H10F2N2O3S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728866
Molecular FormulaC15H10F2N2O3S2
Molecular Weight368.39 g/mol
Exact Mass368.01
IUPAC Name2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCc2c(F)cccc2F)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H10F2N2O3S2/c16-7-2-1-3-8(17)6(7)5-23-15-11(14(18)22)12-13(24-15)9(20)4-10(21)19-12/h1-4H,5H2,(H2,18,22)(H2,19,20,21)
InChIKeyVMVQHAPFTAXUHQ-UHFFFAOYSA-N
XLogP2.96
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728866) is 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(SCc2c(F)cccc2F)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is VMVQHAPFTAXUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3S2/c16-7-2-1-3-8(17)6(7)5-23-15-11(14(18)22)12-13(24-15)9(20)4-10(21)19-12/h1-4H,5H2,(H2,18,22)(H2,19,20,21).
What are the key properties of 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).