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

C9H7N5S — CID 104577496

IUPAC3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1cncs1
InChIInChI=1S/C9H7N5S/c10-3-8-9(13-2-1-12-8)14-5-7-4-11-6-15-7/h1-2,4,6H,5H2,(H,13,14)
InChIKeyBOIKZXFTIGLBCT-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds3

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

3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile (PubChem CID 104577496) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile
PubChem CID104577496
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1cncs1
InChIInChI=1S/C9H7N5S/c10-3-8-9(13-2-1-12-8)14-5-7-4-11-6-15-7/h1-2,4,6H,5H2,(H,13,14)
InChIKeyBOIKZXFTIGLBCT-UHFFFAOYSA-N
XLogP1.42
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile (CID 104577496) is 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCc1cncs1.
What is the InChIKey of 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile?
The InChIKey is BOIKZXFTIGLBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-3-8-9(13-2-1-12-8)14-5-7-4-11-6-15-7/h1-2,4,6H,5H2,(H,13,14).
What are the key properties of 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile?
3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile has a molecular weight of 217.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 104577496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).