2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid

C15H11FN2O2S2 — CID 135383209

IUPAC2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid
SMILESCSc1ccc(Nc2sc3ncccc3c2C(=O)O)c(F)c1
InChIInChI=1S/C15H11FN2O2S2/c1-21-8-4-5-11(10(16)7-8)18-14-12(15(19)20)9-3-2-6-17-13(9)22-14/h2-7,18H,1H3,(H,19,20)
InChIKeyAMAWOWAQPCLOFH-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.60
Rot. Bonds4

About 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid

2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 135383209) has the molecular formula C15H11FN2O2S2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid
PubChem CID135383209
Molecular FormulaC15H11FN2O2S2
Molecular Weight334.40 g/mol
Exact Mass334.02
IUPAC Name2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid
SMILESCSc1ccc(Nc2sc3ncccc3c2C(=O)O)c(F)c1
InChIInChI=1S/C15H11FN2O2S2/c1-21-8-4-5-11(10(16)7-8)18-14-12(15(19)20)9-3-2-6-17-13(9)22-14/h2-7,18H,1H3,(H,19,20)
InChIKeyAMAWOWAQPCLOFH-UHFFFAOYSA-N
XLogP4.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid (CID 135383209) is 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid is CSc1ccc(Nc2sc3ncccc3c2C(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is AMAWOWAQPCLOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S2/c1-21-8-4-5-11(10(16)7-8)18-14-12(15(19)20)9-3-2-6-17-13(9)22-14/h2-7,18H,1H3,(H,19,20).
What are the key properties of 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid?
2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylsulfanylanilino)thieno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 135383209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).