2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid

C12H10FNO2S — CID 79020489

IUPAC2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCc1ccc(-c2csc(CC(=O)O)n2)cc1F
InChIInChI=1S/C12H10FNO2S/c1-7-2-3-8(4-9(7)13)10-6-17-11(14-10)5-12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyXCOBDJOPNHGVRZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.88
Rot. Bonds3

About 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid

2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 79020489) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID79020489
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCc1ccc(-c2csc(CC(=O)O)n2)cc1F
InChIInChI=1S/C12H10FNO2S/c1-7-2-3-8(4-9(7)13)10-6-17-11(14-10)5-12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyXCOBDJOPNHGVRZ-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-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 60529081
2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4316740
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
2-[4-(4-ethylsulfonylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4269847
1-(3-fluoro-4-methylphenyl)-3-[[2-(4-phenyl-1,3-thiazol-2-yl)acetyl]amino]thiourea
CID 8559731
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 82969419
3-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylamino]propanoic acid
CID 82102974
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
CID 116867993

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid (CID 79020489) is 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid is Cc1ccc(-c2csc(CC(=O)O)n2)cc1F.
What is the InChIKey of 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is XCOBDJOPNHGVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-2-3-8(4-9(7)13)10-6-17-11(14-10)5-12(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(3-fluoro-4-methylphenyl)-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-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 79020489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).