N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C10H13N3O2S — CID 43243638

IUPACN-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)N(C)CCC#N
InChIInChI=1S/C10H13N3O2S/c1-8-7-16-10(15)13(8)6-9(14)12(2)5-3-4-11/h7H,3,5-6H2,1-2H3
InChIKeyUQHNDJIUYQOWMU-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.59
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 43243638) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID43243638
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)N(C)CCC#N
InChIInChI=1S/C10H13N3O2S/c1-8-7-16-10(15)13(8)6-9(14)12(2)5-3-4-11/h7H,3,5-6H2,1-2H3
InChIKeyUQHNDJIUYQOWMU-UHFFFAOYSA-N
XLogP0.59
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide 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 N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 43243638) is N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is UQHNDJIUYQOWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-8-7-16-10(15)13(8)6-9(14)12(2)5-3-4-11/h7H,3,5-6H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 239.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 43243638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).