3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid

C10H15N3O3S — CID 64702479

IUPAC3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1nc(N)sc1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5-7(17-9(11)12-5)8(16)13-10(2,3)4-6(14)15/h4H2,1-3H3,(H2,11,12)(H,13,16)(H,14,15)
InChIKeyDXSZOHGUQAAVGL-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.02
Rot. Bonds4

About 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid

3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 64702479) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid
PubChem CID64702479
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1nc(N)sc1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5-7(17-9(11)12-5)8(16)13-10(2,3)4-6(14)15/h4H2,1-3H3,(H2,11,12)(H,13,16)(H,14,15)
InChIKeyDXSZOHGUQAAVGL-UHFFFAOYSA-N
XLogP1.02
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic 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-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 64673287
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 65106677
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid
CID 79268319
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81078004
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82845398
4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119203715
2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide
CID 112674174
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid (CID 64702479) is 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid is Cc1nc(N)sc1C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is DXSZOHGUQAAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5-7(17-9(11)12-5)8(16)13-10(2,3)4-6(14)15/h4H2,1-3H3,(H2,11,12)(H,13,16)(H,14,15).
What are the key properties of 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid?
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 64702479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).