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

C14H10F3N3OS2 — CID 2744118

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)o2)cs1
InChIInChI=1S/C14H10F3N3OS2/c1-8-18-11(7-22-8)12-19-20-13(21-12)23-6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7H,6H2,1H3
InChIKeyZHSSAERCZOLSMU-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.81
Rot. Bonds4

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

2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 2744118) has the molecular formula C14H10F3N3OS2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID2744118
Molecular FormulaC14H10F3N3OS2
Molecular Weight357.38 g/mol
Exact Mass357.02
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)o2)cs1
InChIInChI=1S/C14H10F3N3OS2/c1-8-18-11(7-22-8)12-19-20-13(21-12)23-6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7H,6H2,1H3
InChIKeyZHSSAERCZOLSMU-UHFFFAOYSA-N
XLogP4.81
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole (CID 2744118) is 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole is Cc1nc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)o2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is ZHSSAERCZOLSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS2/c1-8-18-11(7-22-8)12-19-20-13(21-12)23-6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7H,6H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole?
2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 357.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2744118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).