4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile

C13H7N5S — CID 169450944

IUPAC4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nnc(-c3ccncc3)s2)ccn1
InChIInChI=1S/C13H7N5S/c14-8-11-7-10(3-6-16-11)13-18-17-12(19-13)9-1-4-15-5-2-9/h1-7H
InChIKeyZWLMDARFUYTLOU-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.53
Rot. Bonds2

About 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile

4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile (PubChem CID 169450944) has the molecular formula C13H7N5S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile
PubChem CID169450944
Molecular FormulaC13H7N5S
Molecular Weight265.30 g/mol
Exact Mass265.04
IUPAC Name4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nnc(-c3ccncc3)s2)ccn1
InChIInChI=1S/C13H7N5S/c14-8-11-7-10(3-6-16-11)13-18-17-12(19-13)9-1-4-15-5-2-9/h1-7H
InChIKeyZWLMDARFUYTLOU-UHFFFAOYSA-N
XLogP2.53
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile (CID 169450944) is 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile is N#Cc1cc(-c2nnc(-c3ccncc3)s2)ccn1.
What is the InChIKey of 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile?
The InChIKey is ZWLMDARFUYTLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5S/c14-8-11-7-10(3-6-16-11)13-18-17-12(19-13)9-1-4-15-5-2-9/h1-7H.
What are the key properties of 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile?
4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile has a molecular weight of 265.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 169450944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).