2-[1,4]-Diazepan-1-yl-thiazol-4-one

HCID 67239652
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Basic information

Standard SMILES
O=C1CSC(N2CCCNCC2)=N1
InChIKey
SYPJKXRBMUFUCV-UHFFFAOYSA-N
Molecular formula
C8H13N3OS
Average molar mass
199.28 g/mol
Monoisotopic mass
199.07793322

Names & identifiers

Preferred name
2-[1,4]-Diazepan-1-yl-thiazol-4-one
IUPAC
2-(1,4-diazepan-1-yl)-1,3-thiazol-4-one

Names & synonyms

SCHEMBL1991278SYPJKXRBMUFUCV-UHFFFAOYSA-N1312705-03-52-[1,4]-Diazepan-1-yl-thiazol-4-oneDA-27689

Database identifiers

PubChem CID
67239652

Properties

Computed structural properties

XLogP
0
Topological polar surface area
70 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Related reactions

3 records
New reaction record

Compound notes

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