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

C9H11N3O2S — CID 63312699

IUPACN-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCN(CCC#N)C(=O)Cn1ccsc1=O
InChIInChI=1S/C9H11N3O2S/c1-11(4-2-3-10)8(13)7-12-5-6-15-9(12)14/h5-6H,2,4,7H2,1H3
InChIKeyZPALPRJHJFKXBC-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.28
Rot. Bonds4

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

N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 63312699) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID63312699
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCN(CCC#N)C(=O)Cn1ccsc1=O
InChIInChI=1S/C9H11N3O2S/c1-11(4-2-3-10)8(13)7-12-5-6-15-9(12)14/h5-6H,2,4,7H2,1H3
InChIKeyZPALPRJHJFKXBC-UHFFFAOYSA-N
XLogP0.28
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43243638
N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide
CID 63312697
1-Methyl-4-(3-sulfanylpropyl)pyrazine-2,3-dione
CID 80032139
2-(3-oxo-1,4-thiazin-4-yl)-N,N-dipropylacetamide
CID 84405886
N-(2-cyanoethyl)-N-methyl-2-(3-oxo-1,4-thiazin-4-yl)acetamide
CID 84406609
N,N-dimethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646827
N,N-diethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646837
N-cyclopropyl-N-ethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646843
2-(2-oxo-1,3-thiazol-3-yl)-N-propylacetamide
CID 115646854
3-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 115646863
N-cyclopropyl-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646885
N-ethyl-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115659260

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide (CID 63312699) is N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide is CN(CCC#N)C(=O)Cn1ccsc1=O.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is ZPALPRJHJFKXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-11(4-2-3-10)8(13)7-12-5-6-15-9(12)14/h5-6H,2,4,7H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 225.27 g/mol, XLogP of 0.28, 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-(2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 63312699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).