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

C15H12F3N3OS — CID 137408185

IUPAC3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1nc(C)c(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)s1
InChIInChI=1S/C15H12F3N3OS/c1-8-12(23-9(2)19-8)7-10-3-5-11(6-4-10)13-20-14(22-21-13)15(16,17)18/h3-6H,7H2,1-2H3
InChIKeyKGYQPKYIJCWBJG-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.42
Rot. Bonds3

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

3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 137408185) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID137408185
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1nc(C)c(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)s1
InChIInChI=1S/C15H12F3N3OS/c1-8-12(23-9(2)19-8)7-10-3-5-11(6-4-10)13-20-14(22-21-13)15(16,17)18/h3-6H,7H2,1-2H3
InChIKeyKGYQPKYIJCWBJG-UHFFFAOYSA-N
XLogP4.42
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-butyramide
CID 11573708
Cyclopropanecarboxylic acid [5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-amide
CID 11638430
N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]acetamide
CID 11688036
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylethanamine
CID 16190110
5-Methyl-3-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746073
2-(3-Fluorophenyl)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-4-ol
CID 136229289
3-(4-Fluorophenyl)-5-((4-(4-fluorophenyl)thiazol-2-yl)methyl)-1,2,4-oxadiazole
CID 44117820
5-Cyclobutyl-3-[4-(2-methyl-1,3-thiazol-4-YL)phenyl]-1,2,4-oxadiazole
CID 53010901
5-{[4-(4-Methylphenyl)-1,3-thiazol-2-yl]methyl}-3-phenyl-1,2,4-oxadiazole
CID 50838797
3-(3-Methylphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 50838838
5-Cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-YL)phenyl]-1,2,4-oxadiazole
CID 53010904
3-[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71843402

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 137408185) is 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Cc1nc(C)c(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)s1.
What is the InChIKey of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is KGYQPKYIJCWBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c1-8-12(23-9(2)19-8)7-10-3-5-11(6-4-10)13-20-14(22-21-13)15(16,17)18/h3-6H,7H2,1-2H3.
What are the key properties of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 339.34 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 137408185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).