2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole

C16H19FN2S — CID 91269169

IUPAC2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(CCC3CCCCC3)s2)cc1
InChIInChI=1S/C16H19FN2S/c17-14-9-7-13(8-10-14)16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2
InChIKeyRXXMVFRKKPDNNC-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.86
Rot. Bonds4

About 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole

2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 91269169) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
PubChem CID91269169
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(CCC3CCCCC3)s2)cc1
InChIInChI=1S/C16H19FN2S/c17-14-9-7-13(8-10-14)16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2
InChIKeyRXXMVFRKKPDNNC-UHFFFAOYSA-N
XLogP4.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
3-(5-(2-Biphenylyl)-1,3,4-thiadiazol-2-yl)propanamine
CID 13684147
2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
CID 12514511
2-Iodo-5-phenyl-1,3,4-thiadiazole
CID 63384141
2-Chloro-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 13318778
2-(2-Fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 139221813
2-(5-Phenyl-1,3,4-thiadiazol-2-yl)acetonitrile
CID 8812945
1,3,4-Thiadiazole, 2-isopropyl-5-phenyl-
CID 605161

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole (CID 91269169) is 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole is Fc1ccc(-c2nnc(CCC3CCCCC3)s2)cc1.
What is the InChIKey of 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is RXXMVFRKKPDNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c17-14-9-7-13(8-10-14)16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2.
What are the key properties of 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole?
2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 290.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 91269169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).