5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile

C8H4N4S2 — CID 63658742

IUPAC5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Sc2nccs2)cn1
InChIInChI=1S/C8H4N4S2/c9-3-6-4-12-7(5-11-6)14-8-10-1-2-13-8/h1-2,4-5H
InChIKeyNHYDBHBTLVIAPF-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.96
Rot. Bonds2

About 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile

5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile (PubChem CID 63658742) has the molecular formula C8H4N4S2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile
PubChem CID63658742
Molecular FormulaC8H4N4S2
Molecular Weight220.28 g/mol
Exact Mass219.99
IUPAC Name5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Sc2nccs2)cn1
InChIInChI=1S/C8H4N4S2/c9-3-6-4-12-7(5-11-6)14-8-10-1-2-13-8/h1-2,4-5H
InChIKeyNHYDBHBTLVIAPF-UHFFFAOYSA-N
XLogP1.96
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile (CID 63658742) is 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile is N#Cc1cnc(Sc2nccs2)cn1.
What is the InChIKey of 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile?
The InChIKey is NHYDBHBTLVIAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4S2/c9-3-6-4-12-7(5-11-6)14-8-10-1-2-13-8/h1-2,4-5H.
What are the key properties of 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile?
5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 63658742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).