5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C17H16F3N5OS — CID 51312125

IUPAC5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(CN3CCN(c4nccs4)CC3)n2)c1
InChIInChI=1S/C17H16F3N5OS/c18-17(19,20)13-3-1-2-12(10-13)15-22-14(26-23-15)11-24-5-7-25(8-6-24)16-21-4-9-27-16/h1-4,9-10H,5-8,11H2
InChIKeyOFIJOWDQPMTXQG-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.53
Rot. Bonds4

About 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 51312125) has the molecular formula C17H16F3N5OS and a molecular weight of 395.41 g/mol. Its IUPAC name is 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID51312125
Molecular FormulaC17H16F3N5OS
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC Name5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(CN3CCN(c4nccs4)CC3)n2)c1
InChIInChI=1S/C17H16F3N5OS/c18-17(19,20)13-3-1-2-12(10-13)15-22-14(26-23-15)11-24-5-7-25(8-6-24)16-21-4-9-27-16/h1-4,9-10H,5-8,11H2
InChIKeyOFIJOWDQPMTXQG-UHFFFAOYSA-N
XLogP3.53
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 51312125) is 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2noc(CN3CCN(c4nccs4)CC3)n2)c1.
What is the InChIKey of 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is OFIJOWDQPMTXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5OS/c18-17(19,20)13-3-1-2-12(10-13)15-22-14(26-23-15)11-24-5-7-25(8-6-24)16-21-4-9-27-16/h1-4,9-10H,5-8,11H2.
What are the key properties of 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 395.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51312125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).