1-[(Naphthalen-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine

HCID 20310342

Notes Reactions

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Basic information

CAS: 64965-92-0
Standard SMILES: c1ccc2cc(CN3CCN(c4nccs4)CC3)ccc2c1
InChIKey: CNHONDQAIRWONL-UHFFFAOYSA-N
Molecular formula: C18H19N3S
Average molar mass: 309.4 g/mol
Monoisotopic mass: 309.12996861

Names & identifiers

Preferred name: 1-[(Naphthalen-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine
IUPAC: 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-1,3-thiazole

Names & synonyms

64965-92-0SCHEMBL11585232DTXSID80604964CNHONDQAIRWONL-UHFFFAOYSA-N1-[(Naphthalen-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine1-(2-naphthylmethyl)-4-(2-thiazolyl)-piperazine

Database identifiers

CAS: 64965-92-0
PubChem CID: 20310342
DTXSID: DTXSID80604964

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 356

Related reactions

4 records

New reaction record

HRID 200270As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 305354As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1763452As productuspto-grants-1978_09

HRID 1763453As productuspto-grants-1978_09

Compound notes

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