2-fluoro-1,3-thiazole-5-carboxylic acid

C4H2FNO2S — CID 19885491

IUPAC2-fluoro-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(F)s1
InChIInChI=1S/C4H2FNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChIKeyGFFAXZZAXYPCMP-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.98
Rot. Bonds1

About 2-fluoro-1,3-thiazole-5-carboxylic acid

2-fluoro-1,3-thiazole-5-carboxylic acid (PubChem CID 19885491) has the molecular formula C4H2FNO2S and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-fluoro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-1,3-thiazole-5-carboxylic acid
PubChem CID19885491
Molecular FormulaC4H2FNO2S
Molecular Weight147.13 g/mol
Exact Mass146.98
IUPAC Name2-fluoro-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(F)s1
InChIInChI=1S/C4H2FNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChIKeyGFFAXZZAXYPCMP-UHFFFAOYSA-N
XLogP0.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tizoprolic Acid
CID 65773
5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
2-Chloro-thiazole-5-carboxylic acid
CID 1481389
Thiazole-5-carboxylic acid
CID 84494
2-Amino-1,3-thiazole-5-carboxylic acid
CID 315243
Methyl 1,3-thiazole-5-carboxylate
CID 331117
Methyl 2-chloro-1,3-thiazole-5-carboxylate
CID 12897294
2-Acetyl-1,3-thiazole-5-carboxylic acid
CID 49853468
2-(Methylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 58688333
2-(1,1-Dimethylethyl)-5-thiazolecarboxylic acid
CID 19885529
2-Bromothiazole-5-carboxylic acid
CID 2763210

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-fluoro-1,3-thiazole-5-carboxylic acid (CID 19885491) is 2-fluoro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-fluoro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-fluoro-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(F)s1.
What is the InChIKey of 2-fluoro-1,3-thiazole-5-carboxylic acid?
The InChIKey is GFFAXZZAXYPCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8).
What are the key properties of 2-fluoro-1,3-thiazole-5-carboxylic acid?
2-fluoro-1,3-thiazole-5-carboxylic acid has a molecular weight of 147.13 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).