4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C19H16N2OS — CID 16662199

IUPAC4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(C)cc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C19H16N2OS/c1-13-4-9-19(22-3)17(10-13)18-8-6-15(11-20-18)5-7-16-12-23-14(2)21-16/h4,6,8-12H,1-3H3
InChIKeyJVORVTMXGFQEJL-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.23
Rot. Bonds2

About 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16662199) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID16662199
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(C)cc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C19H16N2OS/c1-13-4-9-19(22-3)17(10-13)18-8-6-15(11-20-18)5-7-16-12-23-14(2)21-16/h4,6,8-12H,1-3H3
InChIKeyJVORVTMXGFQEJL-UHFFFAOYSA-N
XLogP4.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 16662199) is 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is COc1ccc(C)cc1-c1ccc(C#Cc2csc(C)n2)cn1.
What is the InChIKey of 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is JVORVTMXGFQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-13-4-9-19(22-3)17(10-13)18-8-6-15(11-20-18)5-7-16-12-23-14(2)21-16/h4,6,8-12H,1-3H3.
What are the key properties of 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 320.42 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16662199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).