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

C11H7ClFNO2S — CID 43120376

IUPAC2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C11H7ClFNO2S/c12-7-3-6(1-2-8(7)13)9-5-17-10(14-9)4-11(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyPKYIPGOPMWIYSB-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.23
Rot. Bonds3

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

2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 43120376) has the molecular formula C11H7ClFNO2S and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID43120376
Molecular FormulaC11H7ClFNO2S
Molecular Weight271.70 g/mol
Exact Mass270.99
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C11H7ClFNO2S/c12-7-3-6(1-2-8(7)13)9-5-17-10(14-9)4-11(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyPKYIPGOPMWIYSB-UHFFFAOYSA-N
XLogP3.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 82969419
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 60529081
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61337081
3-[4-[2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetyl]phenyl]prop-2-ynoic acid
CID 59160805
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 153182995
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid (CID 43120376) is 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is PKYIPGOPMWIYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2S/c12-7-3-6(1-2-8(7)13)9-5-17-10(14-9)4-11(15)16/h1-3,5H,4H2,(H,15,16).
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 271.70 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 43120376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).