2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole

C15H11N5OS2 — CID 9334218

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1sc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1C
InChIInChI=1S/C15H11N5OS2/c1-8-9(2)22-13-11(8)14(18-7-17-13)23-15-20-19-12(21-15)10-4-3-5-16-6-10/h3-7H,1-2H3
InChIKeySHFJHEAKWQJWDS-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.90
Rot. Bonds3

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 9334218) has the molecular formula C15H11N5OS2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID9334218
Molecular FormulaC15H11N5OS2
Molecular Weight341.42 g/mol
Exact Mass341.04
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1sc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1C
InChIInChI=1S/C15H11N5OS2/c1-8-9(2)22-13-11(8)14(18-7-17-13)23-15-20-19-12(21-15)10-4-3-5-16-6-10/h3-7H,1-2H3
InChIKeySHFJHEAKWQJWDS-UHFFFAOYSA-N
XLogP3.90
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole (CID 9334218) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1sc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is SHFJHEAKWQJWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS2/c1-8-9(2)22-13-11(8)14(18-7-17-13)23-15-20-19-12(21-15)10-4-3-5-16-6-10/h3-7H,1-2H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 341.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 9334218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).