Basic information
- Standard SMILES
Cc1nc(NC2CC2)sc1C(=O)NC(C#N)c1ccco1- InChIKey
XDFDFZIZAPRRSC-UHFFFAOYSA-N- Molecular formula
- C14H14N4O2S
- Average molar mass
- 302.35 g/mol
- Monoisotopic mass
- 302.08374688
Names & identifiers
- Preferred name
- 2-Cyclopropylamino-4-methyl-thiazole-5-carboxylic acid (cyano-furan-2-yl-methyl)-amide
- IUPAC
- N-[cyano(furan-2-yl)methyl]-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
Names & synonyms
XDFDFZIZAPRRSC-UHFFFAOYSA-N2-cyclopropylamino-4-methyl-thiazole-5-carboxylic acid (cyano-furan-2-yl-methyl)-amide
Database identifiers
- PubChem CID
- 54463436
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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