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

C9H8N6S2 — CID 63739230

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile
SMILESCN(C)c1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C9H8N6S2/c1-15(2)8-13-14-9(17-8)16-7-6(5-10)11-3-4-12-7/h3-4H,1-2H3
InChIKeyREQDWOYSDHUNMN-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.42
Rot. Bonds3

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

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile (PubChem CID 63739230) has the molecular formula C9H8N6S2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile
PubChem CID63739230
Molecular FormulaC9H8N6S2
Molecular Weight264.34 g/mol
Exact Mass264.03
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile
SMILESCN(C)c1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C9H8N6S2/c1-15(2)8-13-14-9(17-8)16-7-6(5-10)11-3-4-12-7/h3-4H,1-2H3
InChIKeyREQDWOYSDHUNMN-UHFFFAOYSA-N
XLogP1.42
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(2,2,2-Trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile
CID 133284607
3-(5-(Methylthio)-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 2821469
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-Methyl-1,3,4-thiadiazol-2-ylthio)pyrazine-2-carbonitrile
CID 23659330
3-(4-methyl-4H-1,2,4-triazol-3-ylthio)pyrazine-2-carbonitrile
CID 23659515
3-(5-(Methylthio)-1,2,4-thiadiazol-3-ylthio)pyrazine-2-carbonitrile
CID 23659518

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile (CID 63739230) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile is CN(C)c1nnc(Sc2nccnc2C#N)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is REQDWOYSDHUNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S2/c1-15(2)8-13-14-9(17-8)16-7-6(5-10)11-3-4-12-7/h3-4H,1-2H3.
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 264.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 63739230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).