3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C16H10FN3O2S2 — CID 55505448

IUPAC3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10FN3O2S2/c17-11-5-3-10(4-6-11)15-18-12(9-24-15)8-20-16(21)22-14(19-20)13-2-1-7-23-13/h1-7,9H,8H2
InChIKeyAMOONIKFQUEYIM-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.88
Rot. Bonds4

About 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 55505448) has the molecular formula C16H10FN3O2S2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID55505448
Molecular FormulaC16H10FN3O2S2
Molecular Weight359.41 g/mol
Exact Mass359.02
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10FN3O2S2/c17-11-5-3-10(4-6-11)15-18-12(9-24-15)8-20-16(21)22-14(19-20)13-2-1-7-23-13/h1-7,9H,8H2
InChIKeyAMOONIKFQUEYIM-UHFFFAOYSA-N
XLogP3.88
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 55505448) is 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccs2)nn1Cc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is AMOONIKFQUEYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2S2/c17-11-5-3-10(4-6-11)15-18-12(9-24-15)8-20-16(21)22-14(19-20)13-2-1-7-23-13/h1-7,9H,8H2.
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 359.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 55505448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).