Basic information
- CAS
1049985-78-5- Standard SMILES
COCCn1c(-c2ccc(Br)cc2)csc1=Nc1cccnc1- InChIKey
BIWRARHVOZJWIM-UHFFFAOYSA-N- Molecular formula
- C17H16BrN3OS
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 389.01975
Names & identifiers
- Preferred name
- 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
- IUPAC
- 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
Names & synonyms
MLS0010056041049985-78-5SMR0003488334-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imineOprea1_809356CHEMBL3190781DTXSID20398330AKOS034466527SR-01000742560SR-01000742560-2Z56932090(2Z)-4-(4-Bromophenyl)-3-(2-methoxyethyl)-N-(pyridin-3-yl)-1,3-thiazol-2(3H)-imine
Database identifiers
- CAS
1049985-78-5- PubChem CID
- 3974765
- DTXSID
DTXSID20398330- ChEMBL
CHEMBL3190781
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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