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

C8H5N5S3 — CID 23659518

IUPAC3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCSc1nc(Sc2nccnc2C#N)ns1
InChIInChI=1S/C8H5N5S3/c1-14-8-12-7(13-16-8)15-6-5(4-9)10-2-3-11-6/h2-3H,1H3
InChIKeyLYABNWNXXFWXNF-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.07
Rot. Bonds3

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

3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 23659518) has the molecular formula C8H5N5S3 and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID23659518
Molecular FormulaC8H5N5S3
Molecular Weight267.36 g/mol
Exact Mass266.97
IUPAC Name3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCSc1nc(Sc2nccnc2C#N)ns1
InChIInChI=1S/C8H5N5S3/c1-14-8-12-7(13-16-8)15-6-5(4-9)10-2-3-11-6/h2-3H,1H3
InChIKeyLYABNWNXXFWXNF-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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile (CID 23659518) is 3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile is CSc1nc(Sc2nccnc2C#N)ns1.
What is the InChIKey of 3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is LYABNWNXXFWXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S3/c1-14-8-12-7(13-16-8)15-6-5(4-9)10-2-3-11-6/h2-3H,1H3.
What are the key properties of 3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
3-[(5-methylsulfanyl-1,2,4-thiadiazol-3-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-1,2,4-thiadiazol-3-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 23659518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).