Basic information
- Standard SMILES
C#CCCCCNC(=O)c1cnc(S(=O)CC)s1- InChIKey
XVACSNRPZNXJTM-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S2
- Average molar mass
- 284.4 g/mol
Names & identifiers
- Preferred name
- 2-Ethylsulfinyl-5-(hex-5-ynylaminocarbonyl)thiazole
- IUPAC
- 2-ethylsulfinyl-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
Names & synonyms
SCHEMBL11719606XVACSNRPZNXJTM-UHFFFAOYSA-N2-ethylsulfinyl-5-(hex-5-ynylaminocarbonyl)thiazole
Database identifiers
- PubChem CID
- 21391946
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
4 records
Compound notes
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