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

C12H17N3OS — CID 61074520

IUPAC2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
SMILESCc1nc(C)c(C(C)NC(=O)C(C)(C)C#N)s1
InChIInChI=1S/C12H17N3OS/c1-7-10(17-9(3)14-7)8(2)15-11(16)12(4,5)6-13/h8H,1-5H3,(H,15,16)
InChIKeyDBYXDZNHRMWTNJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.49
Rot. Bonds3

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

2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide (PubChem CID 61074520) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
PubChem CID61074520
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
SMILESCc1nc(C)c(C(C)NC(=O)C(C)(C)C#N)s1
InChIInChI=1S/C12H17N3OS/c1-7-10(17-9(3)14-7)8(2)15-11(16)12(4,5)6-13/h8H,1-5H3,(H,15,16)
InChIKeyDBYXDZNHRMWTNJ-UHFFFAOYSA-N
XLogP2.49
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.49
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-methylpropanamide?
The IUPAC name of 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide (CID 61074520) is 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide is Cc1nc(C)c(C(C)NC(=O)C(C)(C)C#N)s1.
What is the InChIKey of 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide?
The InChIKey is DBYXDZNHRMWTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-10(17-9(3)14-7)8(2)15-11(16)12(4,5)6-13/h8H,1-5H3,(H,15,16).
What are the key properties of 2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide?
2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide has a molecular weight of 251.35 g/mol, XLogP of 2.49, 3 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-methylpropanamide is sourced from PubChem (CID 61074520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).