2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid

C12H10FNO2S — CID 112693890

IUPAC2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1sc(CC(=O)O)nc1-c1ccccc1F
InChIInChI=1S/C12H10FNO2S/c1-7-12(8-4-2-3-5-9(8)13)14-10(17-7)6-11(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyYVOLMVQVQLPBRY-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.88
Rot. Bonds3

About 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid

2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 112693890) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID112693890
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1sc(CC(=O)O)nc1-c1ccccc1F
InChIInChI=1S/C12H10FNO2S/c1-7-12(8-4-2-3-5-9(8)13)14-10(17-7)6-11(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyYVOLMVQVQLPBRY-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
CID 116868773
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82226860
2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 174610551
2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870438
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 112677183
[5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate
CID 140538093
4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970710
4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 112677103
tert-butyl-[[4-(2-fluorophenyl)-5-phenylsulfanyl-1,3-thiazol-2-yl]methyl]carbamic acid
CID 68730892
2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 39362974

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid (CID 112693890) is 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid is Cc1sc(CC(=O)O)nc1-c1ccccc1F.
What is the InChIKey of 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is YVOLMVQVQLPBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-12(8-4-2-3-5-9(8)13)14-10(17-7)6-11(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 112693890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).