Basic information
- Standard SMILES
C#CCCCCNC(=O)c1cnc(SCC)s1- InChIKey
AMVHPPXVQOFSQD-UHFFFAOYSA-N- Molecular formula
- C12H16N2OS2
- Average molar mass
- 268.4 g/mol
Names & identifiers
- Preferred name
- 2-Ethylthio-5-(hex-5-ynylaminocarbonyl)thiazole
- IUPAC
- 2-ethylsulfanyl-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
Names & synonyms
SCHEMBL11718903AMVHPPXVQOFSQD-UHFFFAOYSA-N2-ethylthio-5-(hex-5-ynylaminocarbonyl)thiazole2-ethylthio-5-(hex-5-ynylaminocarbonyl) thiazole
Database identifiers
- PubChem CID
- 21392650
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
4 records
Compound notes
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