2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide

C9H13N3O2S — CID 173107724

IUPAC2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](CC(N)=O)Cc1nc(C(N)=O)cs1
InChIInChI=1S/C9H13N3O2S/c1-5(2-7(10)13)3-8-12-6(4-15-8)9(11)14/h4-5H,2-3H2,1H3,(H2,10,13)(H2,11,14)/t5-/m1/s1
InChIKeyKUZBTPZNMPXPEO-RXMQYKEDSA-N
MW227.29 g/mol
LogP0.30
Rot. Bonds5

About 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide

2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide (PubChem CID 173107724) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide
PubChem CID173107724
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](CC(N)=O)Cc1nc(C(N)=O)cs1
InChIInChI=1S/C9H13N3O2S/c1-5(2-7(10)13)3-8-12-6(4-15-8)9(11)14/h4-5H,2-3H2,1H3,(H2,10,13)(H2,11,14)/t5-/m1/s1
InChIKeyKUZBTPZNMPXPEO-RXMQYKEDSA-N
XLogP0.30
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide 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-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 68749134
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylpentan-1-one
CID 116585114
2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide
CID 163734386
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381665
2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 67496532
4-amino-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-oxobutanoic acid
CID 66375926
3-methyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116968699
2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 90104342
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 79470567
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
N-[2-(methylamino)propyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120829137

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide (CID 173107724) is 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide is C[C@H](CC(N)=O)Cc1nc(C(N)=O)cs1.
What is the InChIKey of 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KUZBTPZNMPXPEO-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-5(2-7(10)13)3-8-12-6(4-15-8)9(11)14/h4-5H,2-3H2,1H3,(H2,10,13)(H2,11,14)/t5-/m1/s1.
What are the key properties of 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide?
2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 173107724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).