4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile

C16H10N4S — CID 127265253

IUPAC4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1C=Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H10N4S/c17-9-13-10-18-8-6-12(13)4-5-14-11-21-16(20-14)15-3-1-2-7-19-15/h1-8,10-11H
InChIKeyXLQWWYXEXFDCAC-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.64
Rot. Bonds3

About 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile

4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile (PubChem CID 127265253) has the molecular formula C16H10N4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile
PubChem CID127265253
Molecular FormulaC16H10N4S
Molecular Weight290.35 g/mol
Exact Mass290.06
IUPAC Name4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1C=Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H10N4S/c17-9-13-10-18-8-6-12(13)4-5-14-11-21-16(20-14)15-3-1-2-7-19-15/h1-8,10-11H
InChIKeyXLQWWYXEXFDCAC-UHFFFAOYSA-N
XLogP3.64
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile (CID 127265253) is 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile is N#Cc1cnccc1C=Cc1csc(-c2ccccn2)n1.
What is the InChIKey of 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile?
The InChIKey is XLQWWYXEXFDCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S/c17-9-13-10-18-8-6-12(13)4-5-14-11-21-16(20-14)15-3-1-2-7-19-15/h1-8,10-11H.
What are the key properties of 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile?
4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile has a molecular weight of 290.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 127265253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).