4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

C13H10N2S — CID 11608287

IUPAC4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESC=Cc1cncc(C#Cc2csc(C)n2)c1
InChIInChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
InChIKeyBZJCMXLEGBDDGI-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.89
Rot. Bonds1

About 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (PubChem CID 11608287) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
PubChem CID11608287
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESC=Cc1cncc(C#Cc2csc(C)n2)c1
InChIInChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
InChIKeyBZJCMXLEGBDDGI-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (CID 11608287) is 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is C=Cc1cncc(C#Cc2csc(C)n2)c1.
What is the InChIKey of 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is BZJCMXLEGBDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3.
What are the key properties of 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 226.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 11608287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).