4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C19H16N2S — CID 16662198

IUPAC4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C19H16N2S/c1-3-16-6-4-5-7-18(16)19-11-9-15(12-20-19)8-10-17-13-22-14(2)21-17/h4-7,9,11-13H,3H2,1-2H3
InChIKeyPAZNLKQXTFRUII-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.48
Rot. Bonds2

About 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16662198) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID16662198
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C19H16N2S/c1-3-16-6-4-5-7-18(16)19-11-9-15(12-20-19)8-10-17-13-22-14(2)21-17/h4-7,9,11-13H,3H2,1-2H3
InChIKeyPAZNLKQXTFRUII-UHFFFAOYSA-N
XLogP4.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.48
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-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 16662198) is 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is CCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.
What is the InChIKey of 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is PAZNLKQXTFRUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-3-16-6-4-5-7-18(16)19-11-9-15(12-20-19)8-10-17-13-22-14(2)21-17/h4-7,9,11-13H,3H2,1-2H3.
What are the key properties of 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16662198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).