4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine

C13H7N3S3 — CID 130320830

IUPAC4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine
SMILESc1csc(-c2cnc(-c3cccs3)c3snnc23)c1
InChIInChI=1S/C13H7N3S3/c1-3-9(17-5-1)8-7-14-12(10-4-2-6-18-10)13-11(8)15-16-19-13/h1-7H
InChIKeyOCAVZINVIJDIPH-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.54
Rot. Bonds2

About 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine

4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine (PubChem CID 130320830) has the molecular formula C13H7N3S3 and a molecular weight of 301.42 g/mol. Its IUPAC name is 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine
PubChem CID130320830
Molecular FormulaC13H7N3S3
Molecular Weight301.42 g/mol
Exact Mass300.98
IUPAC Name4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine
SMILESc1csc(-c2cnc(-c3cccs3)c3snnc23)c1
InChIInChI=1S/C13H7N3S3/c1-3-9(17-5-1)8-7-14-12(10-4-2-6-18-10)13-11(8)15-16-19-13/h1-7H
InChIKeyOCAVZINVIJDIPH-UHFFFAOYSA-N
XLogP4.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine?
The IUPAC name of 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine (CID 130320830) is 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine.
What is the SMILES notation for 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine?
The canonical SMILES for 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine is c1csc(-c2cnc(-c3cccs3)c3snnc23)c1.
What is the InChIKey of 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine?
The InChIKey is OCAVZINVIJDIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3S3/c1-3-9(17-5-1)8-7-14-12(10-4-2-6-18-10)13-11(8)15-16-19-13/h1-7H.
What are the key properties of 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine?
4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine has a molecular weight of 301.42 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dithiophen-2-ylthiadiazolo[5,4-c]pyridine is sourced from PubChem (CID 130320830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).