1-Cyclohexyl-3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea

HCID 896958

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Basic information

CAS: 544662-37-5
Standard SMILES: CCSc1nnc(NC(=O)NC2CCCCC2)s1
InChIKey: AWTHZHLZVXYRBO-UHFFFAOYSA-N
Molecular formula: C11H18N4OS2
Average molar mass: 286.4 g/mol
Monoisotopic mass: 286.09220356

Names & identifiers

Preferred name: 1-Cyclohexyl-3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea
IUPAC: 1-cyclohexyl-3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea

Names & synonyms

544662-37-51-cyclohexyl-3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea1-cyclohexyl-3-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)urea1-cyclohexyl-3-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]ureaN-CYCLOHEXYL-N'-[5-(ETHYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]UREACambridge id 7242219Oprea1_366764MLS000685860CHEMBL1517433DTXSID101323777HMS2771L18STK398573

Show more names

AKOS003292797SMR000324374ST50935639SR-01000255712SR-01000255712-1F2680-0467N-cyclohexyl[(5-ethylthio(1,3,4-thiadiazol-2-yl))amino]carboxamide

Database identifiers

CAS: 544662-37-5
PubChem CID: 896958
DTXSID: DTXSID101323777
ChEMBL: CHEMBL1517433

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Experimental & physicochemical properties

Solubility14.9 [ug/mL] (The mean of the results at pH 7.4)

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