5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid

C10H6FNO2S — CID 53418236

IUPAC5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2ccccc2F)s1
InChIInChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)8-5-12-9(15-8)10(13)14/h1-5H,(H,13,14)
InChIKeyINIWUEURZBNEGZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.65
Rot. Bonds2

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

5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 53418236) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid
PubChem CID53418236
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2ccccc2F)s1
InChIInChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)8-5-12-9(15-8)10(13)14/h1-5H,(H,13,14)
InChIKeyINIWUEURZBNEGZ-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylic acid
CID 167386381
5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
CID 22709467
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one
CID 43154054
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid
CID 117229820
2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
CID 16666417
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169063
(2R)-2-[[5-(2-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120511126
2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 123487354
2-(2-fluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 83918520

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid (CID 53418236) is 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1ncc(-c2ccccc2F)s1.
What is the InChIKey of 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is INIWUEURZBNEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)8-5-12-9(15-8)10(13)14/h1-5H,(H,13,14).
What are the key properties of 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 53418236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).