2-(2,5-dihydropyridin-6-yl)-1,3-thiazole

C8H8N2S — CID 91049270

IUPAC2-(2,5-dihydropyridin-6-yl)-1,3-thiazole
SMILESC1=CCC(c2nccs2)=NC1
InChIInChI=1S/C8H8N2S/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-2,5-6H,3-4H2
InChIKeyUELZLIKWUDSAAG-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.89
Rot. Bonds1

About 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole

2-(2,5-dihydropyridin-6-yl)-1,3-thiazole (PubChem CID 91049270) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-dihydropyridin-6-yl)-1,3-thiazole
PubChem CID91049270
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2-(2,5-dihydropyridin-6-yl)-1,3-thiazole
SMILESC1=CCC(c2nccs2)=NC1
InChIInChI=1S/C8H8N2S/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-2,5-6H,3-4H2
InChIKeyUELZLIKWUDSAAG-UHFFFAOYSA-N
XLogP1.89
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole?
The IUPAC name of 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole (CID 91049270) is 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole is C1=CCC(c2nccs2)=NC1.
What is the InChIKey of 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole?
The InChIKey is UELZLIKWUDSAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-2,5-6H,3-4H2.
What are the key properties of 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole?
2-(2,5-dihydropyridin-6-yl)-1,3-thiazole has a molecular weight of 164.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyridin-6-yl)-1,3-thiazole is sourced from PubChem (CID 91049270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).