2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H8N4S2 — CID 66498261

IUPAC2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1csc(-c2nc3nccc(-c4ccsc4)n3n2)c1
InChIInChI=1S/C13H8N4S2/c1-2-11(19-6-1)12-15-13-14-5-3-10(17(13)16-12)9-4-7-18-8-9/h1-8H
InChIKeySAKOBYVBIFQOOA-UHFFFAOYSA-N
MW284.37 g/mol
LogP3.58
Rot. Bonds2

About 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66498261) has the molecular formula C13H8N4S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66498261
Molecular FormulaC13H8N4S2
Molecular Weight284.37 g/mol
Exact Mass284.02
IUPAC Name2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1csc(-c2nc3nccc(-c4ccsc4)n3n2)c1
InChIInChI=1S/C13H8N4S2/c1-2-11(19-6-1)12-15-13-14-5-3-10(17(13)16-12)9-4-7-18-8-9/h1-8H
InChIKeySAKOBYVBIFQOOA-UHFFFAOYSA-N
XLogP3.58
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66498261) is 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1csc(-c2nc3nccc(-c4ccsc4)n3n2)c1.
What is the InChIKey of 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SAKOBYVBIFQOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S2/c1-2-11(19-6-1)12-15-13-14-5-3-10(17(13)16-12)9-4-7-18-8-9/h1-8H.
What are the key properties of 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 284.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).