2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide

C10H13N3OS — CID 55208230

IUPAC2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCN(Cc1cscn1)C(=O)C(C)(C)C#N
InChIInChI=1S/C10H13N3OS/c1-10(2,6-11)9(14)13(3)4-8-5-15-7-12-8/h5,7H,4H2,1-3H3
InChIKeyGOAGRGRLIYFQCZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.65
Rot. Bonds3

About 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide

2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 55208230) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID55208230
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCN(Cc1cscn1)C(=O)C(C)(C)C#N
InChIInChI=1S/C10H13N3OS/c1-10(2,6-11)9(14)13(3)4-8-5-15-7-12-8/h5,7H,4H2,1-3H3
InChIKeyGOAGRGRLIYFQCZ-UHFFFAOYSA-N
XLogP1.65
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 55208230) is 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide is CN(Cc1cscn1)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is GOAGRGRLIYFQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-10(2,6-11)9(14)13(3)4-8-5-15-7-12-8/h5,7H,4H2,1-3H3.
What are the key properties of 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 223.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 55208230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).