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

C14H15NO2S — CID 79421180

IUPAC2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
SMILESCc1nc(CC(C(=O)O)c2ccccc2C)cs1
InChIInChI=1S/C14H15NO2S/c1-9-5-3-4-6-12(9)13(14(16)17)7-11-8-18-10(2)15-11/h3-6,8,13H,7H2,1-2H3,(H,16,17)
InChIKeyIMAPIEIMJWJOAU-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.17
Rot. Bonds4

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

2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid (PubChem CID 79421180) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
PubChem CID79421180
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
SMILESCc1nc(CC(C(=O)O)c2ccccc2C)cs1
InChIInChI=1S/C14H15NO2S/c1-9-5-3-4-6-12(9)13(14(16)17)7-11-8-18-10(2)15-11/h3-6,8,13H,7H2,1-2H3,(H,16,17)
InChIKeyIMAPIEIMJWJOAU-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
CID 115332537
4-[3-bromo-2-(2-methylphenyl)propyl]-2-methyl-1,3-thiazole
CID 79418691
2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79420680
2-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 79440259
3-imidazo[1,2-a]pyridin-2-yl-2-(2-methylphenyl)propanoic acid
CID 79432572
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
N-[(2-methylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70766840
3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylphenyl)propanoic acid
CID 79442429
[1-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316230

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid (CID 79421180) is 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid is Cc1nc(CC(C(=O)O)c2ccccc2C)cs1.
What is the InChIKey of 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
The InChIKey is IMAPIEIMJWJOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-5-3-4-6-12(9)13(14(16)17)7-11-8-18-10(2)15-11/h3-6,8,13H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid?
2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid has a molecular weight of 261.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 79421180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).