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

C14H15NO2S — CID 116965780

IUPAC2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid
SMILESCc1ccccc1-c1csc(CC(C)C(=O)O)n1
InChIInChI=1S/C14H15NO2S/c1-9-5-3-4-6-11(9)12-8-18-13(15-12)7-10(2)14(16)17/h3-6,8,10H,7H2,1-2H3,(H,16,17)
InChIKeyFCJRVZMFGVFUPN-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.38
Rot. Bonds4

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

2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 116965780) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID116965780
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid
SMILESCc1ccccc1-c1csc(CC(C)C(=O)O)n1
InChIInChI=1S/C14H15NO2S/c1-9-5-3-4-6-11(9)12-8-18-13(15-12)7-10(2)14(16)17/h3-6,8,10H,7H2,1-2H3,(H,16,17)
InChIKeyFCJRVZMFGVFUPN-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
2-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanoic acid
CID 82118920
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one
CID 116966479
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 116967198
[4-(2-methylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 53275090
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
CID 79817950
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966687
2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole
CID 86845405
2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105423639
2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527015
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid (CID 116965780) is 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid is Cc1ccccc1-c1csc(CC(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is FCJRVZMFGVFUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-5-3-4-6-11(9)12-8-18-13(15-12)7-10(2)14(16)17/h3-6,8,10H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid?
2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 261.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 116965780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).