3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid

C16H19NO2S — CID 82433961

IUPAC3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
SMILESCc1cccc(-c2nc(C(C)C)c(CCC(=O)O)s2)c1
InChIInChI=1S/C16H19NO2S/c1-10(2)15-13(7-8-14(18)19)20-16(17-15)12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,18,19)
InChIKeyJZUYGRLHOMFWNZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.26
Rot. Bonds5

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

3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82433961) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
PubChem CID82433961
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
SMILESCc1cccc(-c2nc(C(C)C)c(CCC(=O)O)s2)c1
InChIInChI=1S/C16H19NO2S/c1-10(2)15-13(7-8-14(18)19)20-16(17-15)12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,18,19)
InChIKeyJZUYGRLHOMFWNZ-UHFFFAOYSA-N
XLogP4.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440255
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
3-[2-methyl-4-[4-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]but-1-en-2-yl]phenyl]propanoic acid
CID 24852524
3-[2-methyl-4-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
CID 10127726
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
CID 110329629
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
3-[5-bromo-1-methyl-2-(3-methylphenyl)imidazol-4-yl]propanoic acid
CID 84605389
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81178171
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
2-[3-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]phenoxy]acetic acid
CID 67153653
[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 82428598
2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]phenoxy]propanoic acid
CID 67418251

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid (CID 82433961) is 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid is Cc1cccc(-c2nc(C(C)C)c(CCC(=O)O)s2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is JZUYGRLHOMFWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-10(2)15-13(7-8-14(18)19)20-16(17-15)12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid?
3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 289.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82433961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).