2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide

C13H19N3OS — CID 113270257

IUPAC2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C13H19N3OS/c1-6-13(5,7-14)12(17)16-9(3)11-8(2)15-10(4)18-11/h9H,6H2,1-5H3,(H,16,17)
InChIKeyVAQFLPUCNJLAEB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.88
Rot. Bonds4

About 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide

2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide (PubChem CID 113270257) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide
PubChem CID113270257
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C13H19N3OS/c1-6-13(5,7-14)12(17)16-9(3)11-8(2)15-10(4)18-11/h9H,6H2,1-5H3,(H,16,17)
InChIKeyVAQFLPUCNJLAEB-UHFFFAOYSA-N
XLogP2.88
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide?
The IUPAC name of 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide (CID 113270257) is 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide is CCC(C)(C#N)C(=O)NC(C)c1sc(C)nc1C.
What is the InChIKey of 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide?
The InChIKey is VAQFLPUCNJLAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-6-13(5,7-14)12(17)16-9(3)11-8(2)15-10(4)18-11/h9H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide?
2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide has a molecular weight of 265.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 113270257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).