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

C21H18FN3OS2 — CID 55325610

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
SMILESCC(Cc1nnc(SCc2csc(-c3ccc(F)cc3)n2)o1)c1ccccc1
InChIInChI=1S/C21H18FN3OS2/c1-14(15-5-3-2-4-6-15)11-19-24-25-21(26-19)28-13-18-12-27-20(23-18)16-7-9-17(22)10-8-16/h2-10,12,14H,11,13H2,1H3
InChIKeyBNNHJFTWNDGWKX-UHFFFAOYSA-N
MW411.53 g/mol
LogP5.97
Rot. Bonds7

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

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole (PubChem CID 55325610) has the molecular formula C21H18FN3OS2 and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
PubChem CID55325610
Molecular FormulaC21H18FN3OS2
Molecular Weight411.53 g/mol
Exact Mass411.09
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
SMILESCC(Cc1nnc(SCc2csc(-c3ccc(F)cc3)n2)o1)c1ccccc1
InChIInChI=1S/C21H18FN3OS2/c1-14(15-5-3-2-4-6-15)11-19-24-25-21(26-19)28-13-18-12-27-20(23-18)16-7-9-17(22)10-8-16/h2-10,12,14H,11,13H2,1H3
InChIKeyBNNHJFTWNDGWKX-UHFFFAOYSA-N
XLogP5.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole (CID 55325610) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole is CC(Cc1nnc(SCc2csc(-c3ccc(F)cc3)n2)o1)c1ccccc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The InChIKey is BNNHJFTWNDGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS2/c1-14(15-5-3-2-4-6-15)11-19-24-25-21(26-19)28-13-18-12-27-20(23-18)16-7-9-17(22)10-8-16/h2-10,12,14H,11,13H2,1H3.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole has a molecular weight of 411.53 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 55325610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).