4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine

C11H6N6S2 — CID 130317940

IUPAC4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine
SMILESc1cc2nnsc2c(Cc2nccc3nnsc23)n1
InChIInChI=1S/C11H6N6S2/c1-3-12-8(10-6(1)14-16-18-10)5-9-11-7(2-4-13-9)15-17-19-11/h1-4H,5H2
InChIKeyNPSCNJZTRFYWPE-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.08
Rot. Bonds2

About 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine

4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine (PubChem CID 130317940) has the molecular formula C11H6N6S2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine
PubChem CID130317940
Molecular FormulaC11H6N6S2
Molecular Weight286.34 g/mol
Exact Mass286.01
IUPAC Name4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine
SMILESc1cc2nnsc2c(Cc2nccc3nnsc23)n1
InChIInChI=1S/C11H6N6S2/c1-3-12-8(10-6(1)14-16-18-10)5-9-11-7(2-4-13-9)15-17-19-11/h1-4H,5H2
InChIKeyNPSCNJZTRFYWPE-UHFFFAOYSA-N
XLogP2.08
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine?
The IUPAC name of 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine (CID 130317940) is 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine.
What is the SMILES notation for 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine?
The canonical SMILES for 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine is c1cc2nnsc2c(Cc2nccc3nnsc23)n1.
What is the InChIKey of 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine?
The InChIKey is NPSCNJZTRFYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6S2/c1-3-12-8(10-6(1)14-16-18-10)5-9-11-7(2-4-13-9)15-17-19-11/h1-4H,5H2.
What are the key properties of 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine?
4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine has a molecular weight of 286.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiadiazolo[5,4-c]pyridin-4-ylmethyl)thiadiazolo[5,4-c]pyridine is sourced from PubChem (CID 130317940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).