(2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide

C10H17N3O2S — CID 89440672

IUPAC(2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide
SMILESCNC(=O)[C@H](C(C)C)N(C)C1=NC(=O)SC1
InChIInChI=1S/C10H17N3O2S/c1-6(2)8(9(14)11-3)13(4)7-5-16-10(15)12-7/h6,8H,5H2,1-4H3,(H,11,14)/t8-/m0/s1
InChIKeyXZEOKAGIPFOFJG-QMMMGPOBSA-N
MW243.33 g/mol
LogP0.95
Rot. Bonds3

About (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide

(2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide (PubChem CID 89440672) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide
PubChem CID89440672
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide
SMILESCNC(=O)[C@H](C(C)C)N(C)C1=NC(=O)SC1
InChIInChI=1S/C10H17N3O2S/c1-6(2)8(9(14)11-3)13(4)7-5-16-10(15)12-7/h6,8H,5H2,1-4H3,(H,11,14)/t8-/m0/s1
InChIKeyXZEOKAGIPFOFJG-QMMMGPOBSA-N
XLogP0.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide?
The IUPAC name of (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide (CID 89440672) is (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide.
What is the SMILES notation for (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide?
The canonical SMILES for (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide is CNC(=O)[C@H](C(C)C)N(C)C1=NC(=O)SC1.
What is the InChIKey of (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide?
The InChIKey is XZEOKAGIPFOFJG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)8(9(14)11-3)13(4)7-5-16-10(15)12-7/h6,8H,5H2,1-4H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide?
(2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide has a molecular weight of 243.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]butanamide is sourced from PubChem (CID 89440672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).