2-Thiazolamine, 4,5-dihydro-5-(iodomethyl)-N-phenyl-
Basic information
- CAS
127040-68-0- Standard SMILES
ICC1CN=C(Nc2ccccc2)S1- InChIKey
VAPMOBQCVRLARI-UHFFFAOYSA-N- Molecular formula
- C10H11IN2S
- Average molar mass
- 318.18 g/mol
- Monoisotopic mass
- 317.96877
Names & identifiers
- Preferred name
- 2-Thiazolamine, 4,5-dihydro-5-(iodomethyl)-N-phenyl-
- IUPAC
- 5-(iodomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
Names & synonyms
127040-68-0CHEMBL37545115-(iodomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine2-Thiazolamine, 4,5-dihydro-5-(iodomethyl)-N-phenyl-CHEMBL3754859DTXSID30400559BDBM50500764
Database identifiers
- CAS
127040-68-0- PubChem CID
- 4189864
- DTXSID
DTXSID30400559- ChEMBL
CHEMBL3754511、CHEMBL3754859
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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