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

C14H10F3N3OS — CID 2744495

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nc(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)s1
InChIInChI=1S/C14H10F3N3OS/c1-7-11(22-8(2)18-7)13-20-19-12(21-13)9-3-5-10(6-4-9)14(15,16)17/h3-6H,1-2H3
InChIKeyKUZBBWBWXMVPRR-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.50
Rot. Bonds2

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

2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 2744495) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID2744495
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nc(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)s1
InChIInChI=1S/C14H10F3N3OS/c1-7-11(22-8(2)18-7)13-20-19-12(21-13)9-3-5-10(6-4-9)14(15,16)17/h3-6H,1-2H3
InChIKeyKUZBBWBWXMVPRR-UHFFFAOYSA-N
XLogP4.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 2744495) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is Cc1nc(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is KUZBBWBWXMVPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-7-11(22-8(2)18-7)13-20-19-12(21-13)9-3-5-10(6-4-9)14(15,16)17/h3-6H,1-2H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 325.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2744495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).