2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid

C15H16N2O3S — CID 39199975

IUPAC2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1ccc(-c2nc(NC(C)=O)sc2CC(=O)O)cc1
InChIInChI=1S/C15H16N2O3S/c1-3-10-4-6-11(7-5-10)14-12(8-13(19)20)21-15(17-14)16-9(2)18/h4-7H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyWWGYPBXQDFNBCT-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.96
Rot. Bonds5

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

2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 39199975) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID39199975
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1ccc(-c2nc(NC(C)=O)sc2CC(=O)O)cc1
InChIInChI=1S/C15H16N2O3S/c1-3-10-4-6-11(7-5-10)14-12(8-13(19)20)21-15(17-14)16-9(2)18/h4-7H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyWWGYPBXQDFNBCT-UHFFFAOYSA-N
XLogP2.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic 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

2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
CID 23770800
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[2-(2-methylpropanoylamino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200051
2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid
CID 97035884
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[4-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 39200247
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227
2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39349792
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 39199975) is 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid is CCc1ccc(-c2nc(NC(C)=O)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WWGYPBXQDFNBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-10-4-6-11(7-5-10)14-12(8-13(19)20)21-15(17-14)16-9(2)18/h4-7H,3,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 304.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 39199975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).