3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide

C15H12FN3O2S — CID 59704696

IUPAC3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESCSc1ccc(Nc2c(C(N)=O)oc3ccncc23)c(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-22-8-2-3-11(10(16)6-8)19-13-9-7-18-5-4-12(9)21-14(13)15(17)20/h2-7,19H,1H3,(H2,17,20)
InChIKeyMCYGQLYCXMNDSY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.53
Rot. Bonds4

About 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 59704696) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide
PubChem CID59704696
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESCSc1ccc(Nc2c(C(N)=O)oc3ccncc23)c(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-22-8-2-3-11(10(16)6-8)19-13-9-7-18-5-4-12(9)21-14(13)15(17)20/h2-7,19H,1H3,(H2,17,20)
InChIKeyMCYGQLYCXMNDSY-UHFFFAOYSA-N
XLogP3.53
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide (CID 59704696) is 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide is CSc1ccc(Nc2c(C(N)=O)oc3ccncc23)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is MCYGQLYCXMNDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-22-8-2-3-11(10(16)6-8)19-13-9-7-18-5-4-12(9)21-14(13)15(17)20/h2-7,19H,1H3,(H2,17,20).
What are the key properties of 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylsulfanylanilino)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 59704696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).