2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid

C10H7FN2O2S — CID 75176666

IUPAC2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccccc2F)n1
InChIInChI=1S/C10H7FN2O2S/c11-6-3-1-2-4-7(6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyNMJJOYBVZJHOQK-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.72
Rot. Bonds3

About 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid

2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 75176666) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID75176666
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccccc2F)n1
InChIInChI=1S/C10H7FN2O2S/c11-6-3-1-2-4-7(6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyNMJJOYBVZJHOQK-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid (CID 75176666) is 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NMJJOYBVZJHOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-6-3-1-2-4-7(6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 75176666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).