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

C10H13N3O2S — CID 63312697

IUPACN-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCN(CCC#N)C(=O)CCn1ccsc1=O
InChIInChI=1S/C10H13N3O2S/c1-12(5-2-4-11)9(14)3-6-13-7-8-16-10(13)15/h7-8H,2-3,5-6H2,1H3
InChIKeyYFNTUYZDDWGLIB-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.67
Rot. Bonds5

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

N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 63312697) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID63312697
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCN(CCC#N)C(=O)CCn1ccsc1=O
InChIInChI=1S/C10H13N3O2S/c1-12(5-2-4-11)9(14)3-6-13-7-8-16-10(13)15/h7-8H,2-3,5-6H2,1H3
InChIKeyYFNTUYZDDWGLIB-UHFFFAOYSA-N
XLogP0.67
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide (CID 63312697) is N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide is CN(CCC#N)C(=O)CCn1ccsc1=O.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is YFNTUYZDDWGLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-12(5-2-4-11)9(14)3-6-13-7-8-16-10(13)15/h7-8H,2-3,5-6H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide?
N-(2-cyanoethyl)-N-methyl-3-(2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 239.30 g/mol, XLogP of 0.67, 5 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-3-(2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 63312697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).