2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole

C16H12N4OS2 — CID 17457537

IUPAC2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole
SMILESCCc1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1
InChIInChI=1S/C16H12N4OS2/c1-2-10-3-5-11(6-4-10)13-19-20-16(21-13)23-15-12-7-8-22-14(12)17-9-18-15/h3-9H,2H2,1H3
InChIKeySARLFEIXTFGWII-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.45
Rot. Bonds4

About 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole

2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole (PubChem CID 17457537) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole
PubChem CID17457537
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC Name2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole
SMILESCCc1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1
InChIInChI=1S/C16H12N4OS2/c1-2-10-3-5-11(6-4-10)13-19-20-16(21-13)23-15-12-7-8-22-14(12)17-9-18-15/h3-9H,2H2,1H3
InChIKeySARLFEIXTFGWII-UHFFFAOYSA-N
XLogP4.45
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole (CID 17457537) is 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole is CCc1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole?
The InChIKey is SARLFEIXTFGWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-2-10-3-5-11(6-4-10)13-19-20-16(21-13)23-15-12-7-8-22-14(12)17-9-18-15/h3-9H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole?
2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole has a molecular weight of 340.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 17457537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).