3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile

C8H5N5S3 — CID 2821469

IUPAC3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCSc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C8H5N5S3/c1-14-7-12-13-8(16-7)15-6-5(4-9)10-2-3-11-6/h2-3H,1H3
InChIKeyKMIYLZUALJGVHH-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.07
Rot. Bonds3

About 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile

3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 2821469) has the molecular formula C8H5N5S3 and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID2821469
Molecular FormulaC8H5N5S3
Molecular Weight267.36 g/mol
Exact Mass266.97
IUPAC Name3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCSc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C8H5N5S3/c1-14-7-12-13-8(16-7)15-6-5(4-9)10-2-3-11-6/h2-3H,1H3
InChIKeyKMIYLZUALJGVHH-UHFFFAOYSA-N
XLogP2.07
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(Methylsulfanyl)pyrazine-2-carbonitrile
CID 62684059
3-(5-(Ethylthio)-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23642189
3-(5-(Allylthio)-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659147
3-(5-(Propylthio)-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659148
3-(5-(Butylthio)-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659149
3-(5-(Isobutylthio)-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659150
3-(5-(Pentylthio)-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659325
3-(5-(Dodecylthio)-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659326
3-(5-Mercapto-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659328
3-(5-Methyl-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659330
3-(5-(Methylthio)-1,2,4-thiadiazol-3-ylthio)pyrazine-2-carbonitrile
CID 23659518
3-(5-Butyl-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659733

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (CID 2821469) is 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is CSc1nnc(Sc2nccnc2C#N)s1.
What is the InChIKey of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is KMIYLZUALJGVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S3/c1-14-7-12-13-8(16-7)15-6-5(4-9)10-2-3-11-6/h2-3H,1H3.
What are the key properties of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 267.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 2821469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).