2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C17H10N6OS2 — CID 11840831

IUPAC2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(Sc3nnc(-c4cccs4)o3)n3ncnc3n2)cc1
InChIInChI=1S/C17H10N6OS2/c1-2-5-11(6-3-1)12-9-14(23-16(20-12)18-10-19-23)26-17-22-21-15(24-17)13-7-4-8-25-13/h1-10H
InChIKeyFJTJSQTVHIUWGE-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.05
Rot. Bonds4

About 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 11840831) has the molecular formula C17H10N6OS2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID11840831
Molecular FormulaC17H10N6OS2
Molecular Weight378.44 g/mol
Exact Mass378.04
IUPAC Name2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(Sc3nnc(-c4cccs4)o3)n3ncnc3n2)cc1
InChIInChI=1S/C17H10N6OS2/c1-2-5-11(6-3-1)12-9-14(23-16(20-12)18-10-19-23)26-17-22-21-15(24-17)13-7-4-8-25-13/h1-10H
InChIKeyFJTJSQTVHIUWGE-UHFFFAOYSA-N
XLogP4.05
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 11840831) is 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is c1ccc(-c2cc(Sc3nnc(-c4cccs4)o3)n3ncnc3n2)cc1.
What is the InChIKey of 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is FJTJSQTVHIUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N6OS2/c1-2-5-11(6-3-1)12-9-14(23-16(20-12)18-10-19-23)26-17-22-21-15(24-17)13-7-4-8-25-13/h1-10H.
What are the key properties of 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 378.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 11840831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).