Thio-THIP
Basic information
- CAS
97164-95-9- Standard SMILES
O=c1[nH]sc2c1CCNC2- InChIKey
DZYJTJJQGHXSFN-UHFFFAOYSA-N- Molecular formula
- C6H8N2OS
- Average molar mass
- 156.21 g/mol
- Monoisotopic mass
- 156.03573406
Overview
Thio-THIP is a thiazolopyridine.
Names & identifiers
- Preferred name
- Thio-THIP
- IUPAC
- 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one
- English name
- 4,5,6,7-tetrahydroisothiazolo[5,4-c]pyridin-3-ol hydrobroMide
- Molecular formula
- C6H9BrN2OS
- Molecular weight
- 237.11746
Names & synonyms
Thio-THIP97164-95-94,5,6,7-Tetrahydroisothiazolo[5,4-c]pyridin-3-ol4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-oneDTXSID003496484,5,6,7-Tetrahydroisothiazolo(5,4-c)pyridin-3-ol4,5,6,7-tetrahydro-(1,2)thiazolo(5,4-c)pyridin-3-oneRefChem:189401DTXCID403007184H,5H,6H,7H-[1,2]thiazolo[5,4-c]pyridin-3-olCHEMBL170539CHEBI:35010
Show more names
4,5,6,7-tetrahydroisothiazolo-[5,4-c]pyridine-3-ol4,5,6,7-tetrahydroisothiazolo[5,4-c]pyridin-3-ol hydrobroMide
4,5,6,7-tetrahydroisothiazolo[5,4-c]pyridin-3-oneACMC-20m1etAC1LCVH2Isothiazolo[5,4-c]pyridin-3(2H)-one, 4,5,6,7-tetrahydro-SCHEMBL30192881GTPL10907CHEBI:386162BDBM50224812
Database identifiers
- CAS
97164-95-9- PubChem CID
- 656720
- DTXSID
DTXSID00349648- ChEMBL
CHEMBL170539- ChEBI
CHEBI:35010- Nikkaji
- J845.494I
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 212
Chemistry & industry
Additional notes
DefinitionChEBI: Thio-THIP is a thiazolopyridine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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