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

C9H7N5S3 — CID 23642189

IUPAC3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCCSc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C9H7N5S3/c1-2-15-8-13-14-9(17-8)16-7-6(5-10)11-3-4-12-7/h3-4H,2H2,1H3
InChIKeyUBSFSJMIJHSGDZ-UHFFFAOYSA-N
MW281.39 g/mol
LogP2.46
Rot. Bonds4

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

3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 23642189) has the molecular formula C9H7N5S3 and a molecular weight of 281.39 g/mol. Its IUPAC name is 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID23642189
Molecular FormulaC9H7N5S3
Molecular Weight281.39 g/mol
Exact Mass280.99
IUPAC Name3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCCSc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C9H7N5S3/c1-2-15-8-13-14-9(17-8)16-7-6(5-10)11-3-4-12-7/h3-4H,2H2,1H3
InChIKeyUBSFSJMIJHSGDZ-UHFFFAOYSA-N
XLogP2.46
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (CID 23642189) is 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is CCSc1nnc(Sc2nccnc2C#N)s1.
What is the InChIKey of 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is UBSFSJMIJHSGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S3/c1-2-15-8-13-14-9(17-8)16-7-6(5-10)11-3-4-12-7/h3-4H,2H2,1H3.
What are the key properties of 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 281.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 23642189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).