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

C11H11N5S2 — CID 23659733

IUPAC3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCCCCc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C11H11N5S2/c1-2-3-4-9-15-16-11(17-9)18-10-8(7-12)13-5-6-14-10/h5-6H,2-4H2,1H3
InChIKeyMVRIFBRSSIOCSP-UHFFFAOYSA-N
MW277.38 g/mol
LogP2.69
Rot. Bonds5

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

3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 23659733) has the molecular formula C11H11N5S2 and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID23659733
Molecular FormulaC11H11N5S2
Molecular Weight277.38 g/mol
Exact Mass277.05
IUPAC Name3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCCCCc1nnc(Sc2nccnc2C#N)s1
InChIInChI=1S/C11H11N5S2/c1-2-3-4-9-15-16-11(17-9)18-10-8(7-12)13-5-6-14-10/h5-6H,2-4H2,1H3
InChIKeyMVRIFBRSSIOCSP-UHFFFAOYSA-N
XLogP2.69
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(5-butyl-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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (CID 23659733) is 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is CCCCc1nnc(Sc2nccnc2C#N)s1.
What is the InChIKey of 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is MVRIFBRSSIOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S2/c1-2-3-4-9-15-16-11(17-9)18-10-8(7-12)13-5-6-14-10/h5-6H,2-4H2,1H3.
What are the key properties of 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 277.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 23659733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).