2-Chloro-3-(1,3-thiazol-2-ylamino)naphthalene-1,4-dione
Basic information
- CAS
22295-55-2- Standard SMILES
O=C1C(Cl)=C(Nc2nccs2)C(=O)c2ccccc21- InChIKey
VQGBZFDVEBLTBV-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O2S
- Average molar mass
- 290.73 g/mol
- Monoisotopic mass
- 289.9916763
Names & identifiers
- Preferred name
- 2-Chloro-3-(1,3-thiazol-2-ylamino)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(1,3-thiazol-2-ylamino)naphthalene-1,4-dione
Names & synonyms
NSC33775722295-55-22-chloro-3-(1,3-thiazol-2-ylamino)naphthalene-1,4-dioneSCHEMBL2680411DTXSID60318855NSC-3377572-Chloro-3-(1,3-thiazol-2-ylamino)naphthoquinone2-chloro-3-(thiazol-2-ylamino)naphthalene-1,4-dione2-Chloro-3-[(1,3-thiazol-2-yl)amino]naphthalene-1,4-dione
Database identifiers
- CAS
22295-55-2- PubChem CID
- 333779
- DTXSID
DTXSID60318855- Nikkaji
- J3.409.136F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 452
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Compound notes
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