4-heptyl-N-(1,3-thiazol-2-yl)benzamide
Basic information
- CAS
5656-05-3- Standard SMILES
CCCCCCCc1ccc(C(=O)Nc2nccs2)cc1- InChIKey
JKHAFNDJAIVYHR-UHFFFAOYSA-N- Molecular formula
- C17H22N2OS
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.1452845
Names & identifiers
- Preferred name
- 4-heptyl-N-(1,3-thiazol-2-yl)benzamide
- IUPAC
- 4-heptyl-N-(1,3-thiazol-2-yl)benzamide
Names & synonyms
4-heptyl-N-(1,3-thiazol-2-yl)benzamideZINC20232415656-05-3CBMicro_026911DTXSID403892004HEPTYLNTHIAZOL2YLBENZAMIDECCCCCCCc1ccc(cc1)C(=O)Nc1nccs1MFCD00655955STK037116AKOS0006185054-heptyl-N-1,3-thiazol-2-ylbenzamide4HEPTYLN(13THIAZOL2YL)BENZAMIDE
Show more names
BIM-0027092.P001ZINC000002023241ST50222063CCCCCCCC1=CC=C(C=C1)C(=O)NC2=NC=CS2(4HEPTYLPHENYL)N(13THIAZOL2YL)CARBOXAMIDESR-01000395542(4-heptylphenyl)-N-(1,3-thiazol-2-yl)carboxamideSR-01000395542-1
Database identifiers
- CAS
5656-05-3- PubChem CID
- 3098549
- DTXSID
DTXSID40389200
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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