PD 128483
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Basic information
- CAS
115688-97-6- Standard SMILES
CN1CCC=C2c3nc(N)sc3CCC21- InChIKey
XFJSSDHKIXXJLM-UHFFFAOYSA-N- Molecular formula
- C11H15N3S
- Average molar mass
- 221.32 g/mol
Overview
structure given in first source; a potential antipsychotic drug candidate found to be a potent frameshift mutagen
Names & identifiers
- Preferred name
- PD 128483
- IUPAC
- 6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
- English name
- 6-METHYL-4,5,5A,6,7,8-HEXAHYDROTHIAZOLO(4,5-F)QUINOLIN-2-AMINE
- Molecular formula
- C11H15N3S
- Molecular weight
- 221.3219
Names & synonyms
115688-97-6PD 128483PD-128483B054ZGI96WThiazolo(4,5-f)quinolin-2-amine, 4,5,5a,6,7,8-hexahydro-6-methyl-, (+-)-RefChem:928660153260-23-26-Methyl-4,5,5a,6,7,8-hexahydrothiazolo(4,5-f)quinolin-2-amineCCRIS 43944,5,5a,6,7,8-Hexahydro-6-methylthiazolo(4,5-f)quinoline-2-amine6-METHYL-4,5,5A,6,7,8-HEXAHYDROTHIAZOLO[4,5-F]QUINOLIN-2-AMINECCRIS 6698
Show more names
4,5,5A,6,7,8-HEXAHYDRO-6-METHYLTHIAZOLO[4,5-F]QUINOLINE-2-AMINETHIAZOLO(4,5-F)QUINOLIN-2-AMINE, 4,5,5A,6,7,8-HEXAHYDRO-6-METHYL-, (+/-)-Thiazolo[4,5-f]quinolin-2-amine, 4,5,5a,6,7,8-hexahydro-6-methyl-, (+/-)-XFJSSDHKIXXJLM-UHFFFAOYSA-NUNII-B054ZGI96WCHEMBL350920orb3173515SCHEMBL10665477
Database identifiers
- CAS
115688-97-6、153260-23-2- PubChem CID
- 130792
- DTXSID
DTXSID20921788- ChEMBL
CHEMBL350920- UNII
- B054ZGI96W
- Nikkaji
- J471.961A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Related reactions
1 records
Compound notes
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