2-Piperidinobenzothiazole
Basic information
- CAS
2851-08-3- Standard SMILES
c1ccc2sc(N3CCCCC3)nc2c1- InChIKey
FKZMOBHJSKHLCS-UHFFFAOYSA-N- Molecular formula
- C12H14N2S
- Average molar mass
- 218.32 g/mol
- Monoisotopic mass
- 218.08776963
Names & identifiers
- Preferred name
- 2-Piperidinobenzothiazole
- IUPAC
- 2-piperidin-1-yl-1,3-benzothiazole
- English name
- 2-piperidinobenzothiazole
- Molecular formula
- C12H14N2S
- Molecular weight
- 218.32
Names & synonyms
2851-08-32-Piperidinobenzothiazole2-(Piperidin-1-yl)benzo[d]thiazole2-(piperidin-1-yl)-1,3-benzothiazole2-piperidin-1-yl-1,3-benzothiazole2-Piperidin-1-yl-benzothiazole2-(1-Piperidinyl)-1,3-benzothiazole2-(1-piperidinyl)BenzothiazoleNSC55897MLS0026677862-(1-piperidyl)-1,3-benzothiazoleNSC-55897
Show more names
2-(Piperidin-1-yl)benzothiazoleBenzothiazole, 2-(1-piperidinyl)- (9CI)
benzothiazole, 2-(1-piperidinyl)-2-piperidylbenzothiazoleOprea1_410610Benzothiazole, 2-piperidino-SCHEMBL1713549SCHEMBL7217567CHEMBL1724858DTXSID60182730
Database identifiers
- CAS
2851-08-3- PubChem CID
- 76105
- DTXSID
DTXSID60182730- ChEMBL
CHEMBL1724858- UNII
- 7HW3493EP6
- EC Number
- 220-658-4
- Nikkaji
- J306.778E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 95 · 95-96℃
- Density
- 1.222 · 1.222
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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