(2Z)-2-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-1-cyclohexylethanone

HCID 24955697
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN1N=C(C)S/C1=C\C(=O)C1CCCCC1
InChIKey
IHTUDSOUOURJOJ-PTNGSMBKSA-N
Molecular formula
C15H24N2OS
Average molar mass
280.4 g/mol
Monoisotopic mass
280.16093457

Names & identifiers

Preferred name
(2Z)-2-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-1-cyclohexylethanone
IUPAC
(2Z)-2-(3-butyl-5-methyl-1,3,4-thiadiazol-2-ylidene)-1-cyclohexylethanone

Names & synonyms

SCHEMBL4785137IHTUDSOUOURJOJ-PTNGSMBKSA-N(2Z)-2-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-1-cyclohexylethanone

Database identifiers

PubChem CID
24955697

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
58 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19

Related reactions

1 records
New reaction record

Compound notes

Loading…