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

C12H10FNO2S — CID 82226860

IUPAC2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2ccccc2F)c(C(=O)O)s1
InChIInChI=1S/C12H10FNO2S/c1-2-9-14-10(11(17-9)12(15)16)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,15,16)
InChIKeyXJRVYJMUJOWECI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.21
Rot. Bonds3

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

2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82226860) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82226860
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2ccccc2F)c(C(=O)O)s1
InChIInChI=1S/C12H10FNO2S/c1-2-9-14-10(11(17-9)12(15)16)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,15,16)
InChIKeyXJRVYJMUJOWECI-UHFFFAOYSA-N
XLogP3.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970710
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890
4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970690
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82306715
4-(3-aminophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82226903
4-(2-chlorophenyl)-2-pentyl-1,3-thiazole-5-carboxylic acid
CID 22437363
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95478146
2-(bromomethyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 141320592
2-ethyl-6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646431
2-[(2-fluorophenyl)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227149

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 82226860) is 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is CCc1nc(-c2ccccc2F)c(C(=O)O)s1.
What is the InChIKey of 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XJRVYJMUJOWECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-2-9-14-10(11(17-9)12(15)16)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).