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

HCID 69323970
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Basic information

Standard SMILES
CCCCN1N=C(C)S/C1=C\C(=O)CC1CCCC1
InChIKey
MLHGTWKLGLHPNO-PTNGSMBKSA-N
Molecular formula
C15H24N2OS
Average molar mass
280.4 g/mol
Monoisotopic mass
280.16093457

Names & identifiers

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

Names & synonyms

SCHEMBL5131423MLHGTWKLGLHPNO-PTNGSMBKSA-N(1Z)-1-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-cyclopentylacetone

Database identifiers

PubChem CID
69323970

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
58 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
19

Related reactions

1 records
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Compound notes

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