Basic information
- CAS
83890-29-3- Standard SMILES
Clc1cccc(NC2=NCCS2)c1- InChIKey
GBQKVBOQHMFWHS-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2S
- Average molar mass
- 212.7 g/mol
- Monoisotopic mass
- 212.0174972
Names & identifiers
- Preferred name
- n-(3-Chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
- IUPAC
- N-(3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
Names & synonyms
n-(3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine83890-29-3MLS002920156NSC132370SCHEMBL4256937CHEMBL2131437DTXSID60299736AKOS008946849NSC-132370SMR001797753
Database identifiers
- CAS
83890-29-3- PubChem CID
- 280593
- DTXSID
DTXSID60299736- ChEMBL
CHEMBL2131437- Nikkaji
- J597.763K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…