3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid

C14H16N2O2S — CID 82162004

IUPAC3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid
SMILESCc1ccccc1Nc1nc(C)c(CCC(=O)O)s1
InChIInChI=1S/C14H16N2O2S/c1-9-5-3-4-6-11(9)16-14-15-10(2)12(19-14)7-8-13(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyASWVWWICJKQCCO-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.52
Rot. Bonds5

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

3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82162004) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid
PubChem CID82162004
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid
SMILESCc1ccccc1Nc1nc(C)c(CCC(=O)O)s1
InChIInChI=1S/C14H16N2O2S/c1-9-5-3-4-6-11(9)16-14-15-10(2)12(19-14)7-8-13(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyASWVWWICJKQCCO-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-methyl-2-(2-methylanilino)-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-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161959
3-[2-(4-iodo-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82162042
3-[4-methyl-2-(2,3,4-trifluoroanilino)-1,3-thiazol-5-yl]propanoic acid
CID 94777043
3-[2-(3,4-dimethylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161963
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
2-[4-methyl-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
CID 82065133
3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82162009
3-[2-(3-chloro-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94777032
3-[4-methyl-2-(3-nitroanilino)-1,3-thiazol-5-yl]propanoic acid
CID 94777040
3-[4-hydroxy-2-[2-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propanoic acid
CID 91314073
3-[4-methyl-2-(4-pyrrolidin-1-ylanilino)-1,3-thiazol-5-yl]propanoic acid
CID 82162027
2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065111

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid (CID 82162004) is 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid is Cc1ccccc1Nc1nc(C)c(CCC(=O)O)s1.
What is the InChIKey of 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is ASWVWWICJKQCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-5-3-4-6-11(9)16-14-15-10(2)12(19-14)7-8-13(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid?
3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 276.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82162004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).