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

C18H11ClFN3OS2 — CID 112778299

IUPAC2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2csc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1
InChIInChI=1S/C18H11ClFN3OS2/c19-13-5-1-12(2-6-13)17-23-22-16(24-17)10-26-18-21-15(9-25-18)11-3-7-14(20)8-4-11/h1-9H,10H2
InChIKeyYERLYGNWJDHWLD-UHFFFAOYSA-N
MW403.89 g/mol
LogP5.94
Rot. Bonds5

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

2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 112778299) has the molecular formula C18H11ClFN3OS2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID112778299
Molecular FormulaC18H11ClFN3OS2
Molecular Weight403.89 g/mol
Exact Mass403.00
IUPAC Name2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2csc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1
InChIInChI=1S/C18H11ClFN3OS2/c19-13-5-1-12(2-6-13)17-23-22-16(24-17)10-26-18-21-15(9-25-18)11-3-7-14(20)8-4-11/h1-9H,10H2
InChIKeyYERLYGNWJDHWLD-UHFFFAOYSA-N
XLogP5.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.89
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29351676
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234
4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 61032229
2-(4-chlorophenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 27920170
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(4-chlorophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3164486
2-(4-fluorophenyl)-5-[(1R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8601275
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 172798324
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 112778299) is 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is Fc1ccc(-c2csc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is YERLYGNWJDHWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS2/c19-13-5-1-12(2-6-13)17-23-22-16(24-17)10-26-18-21-15(9-25-18)11-3-7-14(20)8-4-11/h1-9H,10H2.
What are the key properties of 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 403.89 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 112778299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).