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3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide

C17H15F3N4O2S — CID 78863035

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1noc(CCC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)n1
InChIInChI=1S/C17H15F3N4O2S/c1-10-22-15(26-24-10)7-6-14(25)23-16-21-9-13(27-16)8-11-2-4-12(5-3-11)17(18,19)20/h2-5,9H,6-8H2,1H3,(H,21,23,25)
InChIKeyLQSYSESYJTUWTQ-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.02
Rot. Bonds6

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 78863035) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID78863035
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1noc(CCC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)n1
InChIInChI=1S/C17H15F3N4O2S/c1-10-22-15(26-24-10)7-6-14(25)23-16-21-9-13(27-16)8-11-2-4-12(5-3-11)17(18,19)20/h2-5,9H,6-8H2,1H3,(H,21,23,25)
InChIKeyLQSYSESYJTUWTQ-UHFFFAOYSA-N
XLogP4.02
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide (CID 78863035) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide is Cc1noc(CCC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is LQSYSESYJTUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-10-22-15(26-24-10)7-6-14(25)23-16-21-9-13(27-16)8-11-2-4-12(5-3-11)17(18,19)20/h2-5,9H,6-8H2,1H3,(H,21,23,25).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 396.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78863035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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