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

C13H8F3N3OS — CID 2744327

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cs1
InChIInChI=1S/C13H8F3N3OS/c1-7-17-10(6-21-7)12-19-18-11(20-12)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3
InChIKeyIWRLZEPNWRBPJT-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.19
Rot. Bonds2

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

2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 2744327) has the molecular formula C13H8F3N3OS and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID2744327
Molecular FormulaC13H8F3N3OS
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cs1
InChIInChI=1S/C13H8F3N3OS/c1-7-17-10(6-21-7)12-19-18-11(20-12)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3
InChIKeyIWRLZEPNWRBPJT-UHFFFAOYSA-N
XLogP4.19
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744495
2-(2-Methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 2744118
2-(4-Isopropylthiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 46202517
2-(4-Chlorophenyl)-5-(4-isopropylthiazol-2-yl)-1,3,4-oxadiazole
CID 46202518
2-(4-Isopropylthiazol-2-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 46202519
2-(4-Isopropylthiazol-2-yl)-5-p-tolyl-1,3,4-oxadiazole
CID 46202520
2-Phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 53495044
2-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2814977
2-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenyl-1,3,4-oxadiazole
CID 1503579
2-[[5-(2-Methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 2744132
2-(4-Fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 2457094
2-(2-Fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139238026

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 2744327) is 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is Cc1nc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is IWRLZEPNWRBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS/c1-7-17-10(6-21-7)12-19-18-11(20-12)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 311.29 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2744327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).