2-(4-Isopropyloxybenzoyl)amino-5-diethylaminoethylthio-1,3,4-thiadiazole

HCID 9908652
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Basic information

Standard SMILES
CCN(CC)CCSc1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1
InChIKey
JLFLJHILMYRLNP-UHFFFAOYSA-N
Molecular formula
C18H26N4O2S2
Average molar mass
394.6 g/mol

Names & identifiers

Preferred name
2-(4-Isopropyloxybenzoyl)amino-5-diethylaminoethylthio-1,3,4-thiadiazole
IUPAC
N-[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide

Names & synonyms

SCHEMBL8481217JLFLJHILMYRLNP-UHFFFAOYSA-N2-(4-isopropyloxybenzoyl)amino-5-diethylaminoethylthio-1,3,4-thiadiazole

Database identifiers

PubChem CID
9908652

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
26

Related reactions

1 records
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Compound notes

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