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

C13H13NO2S — CID 2231549

IUPAC2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc(C)sc2CC(=O)O)cc1
InChIInChI=1S/C13H13NO2S/c1-8-3-5-10(6-4-8)13-11(7-12(15)16)17-9(2)14-13/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyGZMQGCVFOABLQQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.05
Rot. Bonds3

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

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 2231549) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID2231549
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc(C)sc2CC(=O)O)cc1
InChIInChI=1S/C13H13NO2S/c1-8-3-5-10(6-4-8)13-11(7-12(15)16)17-9(2)14-13/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyGZMQGCVFOABLQQ-UHFFFAOYSA-N
XLogP3.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 2231549) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is Cc1ccc(-c2nc(C)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GZMQGCVFOABLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8-3-5-10(6-4-8)13-11(7-12(15)16)17-9(2)14-13/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 247.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 2231549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).