2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole

C18H18FN3OS2 — CID 42988126

IUPAC2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)cs2)cc1
InChIInChI=1S/C18H18FN3OS2/c19-14-8-6-13(7-9-14)17-20-15(10-24-17)11-25-18-22-21-16(23-18)12-4-2-1-3-5-12/h6-10,12H,1-5,11H2
InChIKeyBVXNLXARWGNKRX-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.67
Rot. Bonds5

About 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole

2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 42988126) has the molecular formula C18H18FN3OS2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID42988126
Molecular FormulaC18H18FN3OS2
Molecular Weight375.49 g/mol
Exact Mass375.09
IUPAC Name2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)cs2)cc1
InChIInChI=1S/C18H18FN3OS2/c19-14-8-6-13(7-9-14)17-20-15(10-24-17)11-25-18-22-21-16(23-18)12-4-2-1-3-5-12/h6-10,12H,1-5,11H2
InChIKeyBVXNLXARWGNKRX-UHFFFAOYSA-N
XLogP5.67
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole (CID 42988126) is 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole is Fc1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)cs2)cc1.
What is the InChIKey of 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is BVXNLXARWGNKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS2/c19-14-8-6-13(7-9-14)17-20-15(10-24-17)11-25-18-22-21-16(23-18)12-4-2-1-3-5-12/h6-10,12H,1-5,11H2.
What are the key properties of 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole?
2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 375.49 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 42988126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).