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

C10H7N5S3 — CID 23659147

IUPAC3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESC=CCSc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C10H7N5S3/c1-2-5-16-9-14-15-10(18-9)17-8-7(6-11)12-3-4-13-8/h2-4H,1,5H2
InChIKeyBKEOFJYMYBXDBW-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.63
Rot. Bonds5

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

3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 23659147) has the molecular formula C10H7N5S3 and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID23659147
Molecular FormulaC10H7N5S3
Molecular Weight293.40 g/mol
Exact Mass292.99
IUPAC Name3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESC=CCSc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C10H7N5S3/c1-2-5-16-9-14-15-10(18-9)17-8-7(6-11)12-3-4-13-8/h2-4H,1,5H2
InChIKeyBKEOFJYMYBXDBW-UHFFFAOYSA-N
XLogP2.63
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (CID 23659147) is 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is C=CCSc1nnc(Sc2nccnc2C#N)s1.
What is the InChIKey of 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is BKEOFJYMYBXDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5S3/c1-2-5-16-9-14-15-10(18-9)17-8-7(6-11)12-3-4-13-8/h2-4H,1,5H2.
What are the key properties of 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 293.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 23659147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).