2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole

C13H8N4O2S2 — CID 7889194

IUPAC2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CSc3ncnc4sccc34)o2)c1
InChIInChI=1S/C13H8N4O2S2/c1-2-9(18-4-1)11-17-16-10(19-11)6-21-13-8-3-5-20-12(8)14-7-15-13/h1-5,7H,6H2
InChIKeyRESHFBDERBAYSI-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.63
Rot. Bonds4

About 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole

2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 7889194) has the molecular formula C13H8N4O2S2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID7889194
Molecular FormulaC13H8N4O2S2
Molecular Weight316.37 g/mol
Exact Mass316.01
IUPAC Name2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CSc3ncnc4sccc34)o2)c1
InChIInChI=1S/C13H8N4O2S2/c1-2-9(18-4-1)11-17-16-10(19-11)6-21-13-8-3-5-20-12(8)14-7-15-13/h1-5,7H,6H2
InChIKeyRESHFBDERBAYSI-UHFFFAOYSA-N
XLogP3.63
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 7889194) is 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole is c1coc(-c2nnc(CSc3ncnc4sccc34)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is RESHFBDERBAYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2S2/c1-2-9(18-4-1)11-17-16-10(19-11)6-21-13-8-3-5-20-12(8)14-7-15-13/h1-5,7H,6H2.
What are the key properties of 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 316.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 7889194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).