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

C18H11F2N3OS2 — CID 2457094

IUPAC2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2csc(SCc3nnc(-c4ccc(F)cc4)o3)n2)cc1
InChIInChI=1S/C18H11F2N3OS2/c19-13-5-1-11(2-6-13)15-9-25-18(21-15)26-10-16-22-23-17(24-16)12-3-7-14(20)8-4-12/h1-9H,10H2
InChIKeyKFBOHAXCDBOVAZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.43
Rot. Bonds5

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

2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 2457094) has the molecular formula C18H11F2N3OS2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID2457094
Molecular FormulaC18H11F2N3OS2
Molecular Weight387.44 g/mol
Exact Mass387.03
IUPAC Name2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2csc(SCc3nnc(-c4ccc(F)cc4)o3)n2)cc1
InChIInChI=1S/C18H11F2N3OS2/c19-13-5-1-11(2-6-13)15-9-25-18(21-15)26-10-16-22-23-17(24-16)12-3-7-14(20)8-4-12/h1-9H,10H2
InChIKeyKFBOHAXCDBOVAZ-UHFFFAOYSA-N
XLogP5.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-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

Related Compounds

2-(4-Chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole
CID 2504736
2-(2-Bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2532750
2-[(2-Phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 2085549
Thiazol-2-amine, 4-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)thio-
CID 631767
2-(2-Methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744327
2-(4-Isopropylthiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 46202517
2-(4-Isopropylthiazol-2-yl)-5-p-tolyl-1,3,4-oxadiazole
CID 46202520
2-Phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 53495044
2-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2814977
2-(4-Fluorophenyl)-5-(1-((2-phenylthiazol-4-yl)methyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 56766046
2-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenyl-1,3,4-oxadiazole
CID 1503579
2-(2-Fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139238026

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 2457094) is 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is Fc1ccc(-c2csc(SCc3nnc(-c4ccc(F)cc4)o3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is KFBOHAXCDBOVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3OS2/c19-13-5-1-11(2-6-13)15-9-25-18(21-15)26-10-16-22-23-17(24-16)12-3-7-14(20)8-4-12/h1-9H,10H2.
What are the key properties of 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2457094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).