Basic information
- CAS
40277-54-1- Standard SMILES
c1nc(N2CCCCC2)c2c3c(sc2n1)CCCC3- InChIKey
WUJLSKGQAUVXCX-UHFFFAOYSA-N- Molecular formula
- C15H19N3S
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.12996879
Names & identifiers
- Preferred name
- 4-Piperidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
- IUPAC
- 4-piperidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Names & synonyms
40277-54-14-piperidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidineCHEMBL18364844-(piperidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidineNSC3330104-(1-piperidinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidineOprea1_172164Oprea1_428334CBDivE_010436SCHEMBL13641084DTXSID60330916BDBM50354373
Show more names
CCG-15274STK366832AKOS000520799EBC-612221NSC-333010ST50908725AG-690/10484056SR-01000392414
Database identifiers
- CAS
40277-54-1- PubChem CID
- 433561
- DTXSID
DTXSID60330916- ChEMBL
CHEMBL1836484
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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