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

C12H10ClNO2S — CID 106817926

IUPAC2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)cs2)cc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-2-3-8(4-10(7)13)12-14-9(6-17-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyXNUZTRIBAQKIQX-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.40
Rot. Bonds3

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

2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 106817926) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID106817926
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)cs2)cc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-2-3-8(4-10(7)13)12-14-9(6-17-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyXNUZTRIBAQKIQX-UHFFFAOYSA-N
XLogP3.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 106818197
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
2-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987002
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-4-yl]acetic acid
CID 43326566
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 106817928
2-[2-[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980592
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7900431
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 106817927
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid (CID 106817926) is 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid is Cc1ccc(-c2nc(CC(=O)O)cs2)cc1Cl.
What is the InChIKey of 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XNUZTRIBAQKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-2-3-8(4-10(7)13)12-14-9(6-17-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 267.74 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 106817926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).