(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide

C10H15N3O2S — CID 119329732

IUPAC(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide
SMILESCC(=O)c1cnc(NC(=O)[C@@H](N)C(C)C)s1
InChIInChI=1S/C10H15N3O2S/c1-5(2)8(11)9(15)13-10-12-4-7(16-10)6(3)14/h4-5,8H,11H2,1-3H3,(H,12,13,15)/t8-/m0/s1
InChIKeyLQLXETMCNXSVPI-QMMMGPOBSA-N
MW241.32 g/mol
LogP1.27
Rot. Bonds4

About (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide

(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide (PubChem CID 119329732) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide
PubChem CID119329732
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide
SMILESCC(=O)c1cnc(NC(=O)[C@@H](N)C(C)C)s1
InChIInChI=1S/C10H15N3O2S/c1-5(2)8(11)9(15)13-10-12-4-7(16-10)6(3)14/h4-5,8H,11H2,1-3H3,(H,12,13,15)/t8-/m0/s1
InChIKeyLQLXETMCNXSVPI-QMMMGPOBSA-N
XLogP1.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide 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

(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
CID 119329727
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119329715
2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 78828454
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide
CID 130778390
N-(5-acetyl-1,3-thiazol-2-yl)-methylboronamidic acid
CID 58334936
(2S)-2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119305393
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-3-methylpentanamide
CID 119755320
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119329729
1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
CID 58688654

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide?
The IUPAC name of (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide (CID 119329732) is (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide?
The canonical SMILES for (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide is CC(=O)c1cnc(NC(=O)[C@@H](N)C(C)C)s1.
What is the InChIKey of (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide?
The InChIKey is LQLXETMCNXSVPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-5(2)8(11)9(15)13-10-12-4-7(16-10)6(3)14/h4-5,8H,11H2,1-3H3,(H,12,13,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide?
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide has a molecular weight of 241.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide is sourced from PubChem (CID 119329732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).