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

C12H11NO2S — CID 3962693

IUPAC2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCc1ccccc1-c1csc(CC(=O)O)n1
InChIInChI=1S/C12H11NO2S/c1-8-4-2-3-5-9(8)10-7-16-11(13-10)6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyMJUGVFWYTIDVCA-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.75
Rot. Bonds3

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

2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 3962693) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID3962693
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCc1ccccc1-c1csc(CC(=O)O)n1
InChIInChI=1S/C12H11NO2S/c1-8-4-2-3-5-9(8)10-7-16-11(13-10)6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyMJUGVFWYTIDVCA-UHFFFAOYSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid
CID 116965780
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one
CID 116966479
2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4316740
[4-(2-methylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 53275090
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963701
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 116967198
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid (CID 3962693) is 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid is Cc1ccccc1-c1csc(CC(=O)O)n1.
What is the InChIKey of 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is MJUGVFWYTIDVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-4-2-3-5-9(8)10-7-16-11(13-10)6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 233.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 3962693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).