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

C15H9ClN4OS2 — CID 34246919

IUPAC2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(CSc2ncnc3ccsc23)o1
InChIInChI=1S/C15H9ClN4OS2/c16-10-4-2-1-3-9(10)14-20-19-12(21-14)7-23-15-13-11(5-6-22-13)17-8-18-15/h1-6,8H,7H2
InChIKeyZCRIJPKPQZGVNY-UHFFFAOYSA-N
MW360.85 g/mol
LogP4.69
Rot. Bonds4

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

2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 34246919) has the molecular formula C15H9ClN4OS2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID34246919
Molecular FormulaC15H9ClN4OS2
Molecular Weight360.85 g/mol
Exact Mass359.99
IUPAC Name2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(CSc2ncnc3ccsc23)o1
InChIInChI=1S/C15H9ClN4OS2/c16-10-4-2-1-3-9(10)14-20-19-12(21-14)7-23-15-13-11(5-6-22-13)17-8-18-15/h1-6,8H,7H2
InChIKeyZCRIJPKPQZGVNY-UHFFFAOYSA-N
XLogP4.69
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 34246919) is 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole is Clc1ccccc1-c1nnc(CSc2ncnc3ccsc23)o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is ZCRIJPKPQZGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4OS2/c16-10-4-2-1-3-9(10)14-20-19-12(21-14)7-23-15-13-11(5-6-22-13)17-8-18-15/h1-6,8H,7H2.
What are the key properties of 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 360.85 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 34246919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).