N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide

C11H15N3O2S — CID 61406326

IUPACN-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
SMILESCc1sc(=O)n(CC(=O)N(C)CCC#N)c1C
InChIInChI=1S/C11H15N3O2S/c1-8-9(2)17-11(16)14(8)7-10(15)13(3)6-4-5-12/h4,6-7H2,1-3H3
InChIKeyLMNTUDHMWSLNGT-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.90
Rot. Bonds4

About N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide (PubChem CID 61406326) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
PubChem CID61406326
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
SMILESCc1sc(=O)n(CC(=O)N(C)CCC#N)c1C
InChIInChI=1S/C11H15N3O2S/c1-8-9(2)17-11(16)14(8)7-10(15)13(3)6-4-5-12/h4,6-7H2,1-3H3
InChIKeyLMNTUDHMWSLNGT-UHFFFAOYSA-N
XLogP0.90
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide (CID 61406326) is N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide is Cc1sc(=O)n(CC(=O)N(C)CCC#N)c1C.
What is the InChIKey of N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The InChIKey is LMNTUDHMWSLNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-9(2)17-11(16)14(8)7-10(15)13(3)6-4-5-12/h4,6-7H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide has a molecular weight of 253.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 61406326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).