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

C8H5N5S2 — CID 23659330

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C8H5N5S2/c1-5-12-13-8(14-5)15-7-6(4-9)10-2-3-11-7/h2-3H,1H3
InChIKeyBCSPOALMZOSSDH-UHFFFAOYSA-N
MW235.30 g/mol
LogP1.66
Rot. Bonds2

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

3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 23659330) has the molecular formula C8H5N5S2 and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID23659330
Molecular FormulaC8H5N5S2
Molecular Weight235.30 g/mol
Exact Mass235.00
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C8H5N5S2/c1-5-12-13-8(14-5)15-7-6(4-9)10-2-3-11-7/h2-3H,1H3
InChIKeyBCSPOALMZOSSDH-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (CID 23659330) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is Cc1nnc(Sc2nccnc2C#N)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is BCSPOALMZOSSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S2/c1-5-12-13-8(14-5)15-7-6(4-9)10-2-3-11-7/h2-3H,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 235.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 23659330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).