3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid

C9H12N2O3S — CID 120522717

IUPAC3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid
SMILESCc1nscc1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C9H12N2O3S/c1-5(3-8(12)13)10-9(14)7-4-15-11-6(7)2/h4-5H,3H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyQKYSUAWXELUAQR-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.04
Rot. Bonds4

About 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid

3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid (PubChem CID 120522717) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid
PubChem CID120522717
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid
SMILESCc1nscc1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C9H12N2O3S/c1-5(3-8(12)13)10-9(14)7-4-15-11-6(7)2/h4-5H,3H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyQKYSUAWXELUAQR-UHFFFAOYSA-N
XLogP1.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic 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

N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120535785
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 97255775
N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 131207229
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide
CID 122159118
2-benzyl-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120525121
3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836475

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid (CID 120522717) is 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid is Cc1nscc1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid?
The InChIKey is QKYSUAWXELUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5(3-8(12)13)10-9(14)7-4-15-11-6(7)2/h4-5H,3H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid?
3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid has a molecular weight of 228.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120522717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).