5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid

C10H7FN2O2S — CID 64631906

IUPAC5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1ccccc1F
InChIInChI=1S/C10H7FN2O2S/c11-6-3-1-2-4-7(6)13-9-8(10(14)15)12-5-16-9/h1-5,13H,(H,14,15)
InChIKeyHNAPXTDIRFBERY-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.72
Rot. Bonds3

About 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid

5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64631906) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64631906
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1ccccc1F
InChIInChI=1S/C10H7FN2O2S/c11-6-3-1-2-4-7(6)13-9-8(10(14)15)12-5-16-9/h1-5,13H,(H,14,15)
InChIKeyHNAPXTDIRFBERY-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 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid (CID 64631906) is 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1Nc1ccccc1F.
What is the InChIKey of 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HNAPXTDIRFBERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-6-3-1-2-4-7(6)13-9-8(10(14)15)12-5-16-9/h1-5,13H,(H,14,15).
What are the key properties of 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
5-(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 5-(2-fluoroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64631906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).