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

C10H6FNO2S — CID 43142306

IUPAC2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKeyDHFRIMBNGDEXQK-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.65
Rot. Bonds2

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

2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 43142306) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID43142306
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKeyDHFRIMBNGDEXQK-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

2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 82676392
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79978534
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 130581375
(3S)-3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 71239923
2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 169498576
2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 169498549
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 43142306) is 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is DHFRIMBNGDEXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14).
What are the key properties of 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
2-(2-fluorophenyl)-1,3-thiazole-4-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 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 43142306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).