4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile

C8H4N4S2 — CID 130942463

IUPAC4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1cnccc1Sc1nncs1
InChIInChI=1S/C8H4N4S2/c9-3-6-4-10-2-1-7(6)14-8-12-11-5-13-8/h1-2,4-5H
InChIKeyZVNJSBMQJZKKHY-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.96
Rot. Bonds2

About 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile

4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile (PubChem CID 130942463) has the molecular formula C8H4N4S2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile
PubChem CID130942463
Molecular FormulaC8H4N4S2
Molecular Weight220.28 g/mol
Exact Mass219.99
IUPAC Name4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1cnccc1Sc1nncs1
InChIInChI=1S/C8H4N4S2/c9-3-6-4-10-2-1-7(6)14-8-12-11-5-13-8/h1-2,4-5H
InChIKeyZVNJSBMQJZKKHY-UHFFFAOYSA-N
XLogP1.96
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile
CID 130587844
4-bromopyridine-3-carbonitrile
CID 22329522
2-[(3-cyano-4-pyridinyl)sulfanyl]acetic acid
CID 131036257
[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
CID 43528963
1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814151
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 60789217
4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile
CID 135432173
4-[3-(4-chlorophenyl)prop-2-ynylsulfanyl]pyridine-3-carbonitrile
CID 167887684
3-cyanopyridine-4-carboxamide
CID 68581074
4-(1-fluoroethyl)pyridine-3-carbonitrile
CID 91089599
(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 83128395

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile (CID 130942463) is 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile is N#Cc1cnccc1Sc1nncs1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is ZVNJSBMQJZKKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4S2/c9-3-6-4-10-2-1-7(6)14-8-12-11-5-13-8/h1-2,4-5H.
What are the key properties of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile?
4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130942463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).