3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile

C8H8N4S — CID 126993543

IUPAC3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCSC1
InChIInChI=1S/C8H8N4S/c9-5-7-8(11-2-1-10-7)12-3-4-13-6-12/h1-2H,3-4,6H2
InChIKeyHZCYTBPMZZVWAL-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.86
Rot. Bonds1

About 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile

3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile (PubChem CID 126993543) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile
PubChem CID126993543
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCSC1
InChIInChI=1S/C8H8N4S/c9-5-7-8(11-2-1-10-7)12-3-4-13-6-12/h1-2H,3-4,6H2
InChIKeyHZCYTBPMZZVWAL-UHFFFAOYSA-N
XLogP0.86
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile (CID 126993543) is 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCSC1.
What is the InChIKey of 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile?
The InChIKey is HZCYTBPMZZVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-5-7-8(11-2-1-10-7)12-3-4-13-6-12/h1-2H,3-4,6H2.
What are the key properties of 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile?
3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile has a molecular weight of 192.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 126993543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).