4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole

C20H19NO2S — CID 58477864

IUPAC4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
SMILESCOc1cc(/C=C/c2csc(-c3ccccc3)n2)cc(C)c1OC
InChIInChI=1S/C20H19NO2S/c1-14-11-15(12-18(22-2)19(14)23-3)9-10-17-13-24-20(21-17)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9+
InChIKeyTVMCMPMXGXOWJI-MDZDMXLPSA-N
MW337.44 g/mol
LogP5.31
Rot. Bonds5

About 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole

4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole (PubChem CID 58477864) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
PubChem CID58477864
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
SMILESCOc1cc(/C=C/c2csc(-c3ccccc3)n2)cc(C)c1OC
InChIInChI=1S/C20H19NO2S/c1-14-11-15(12-18(22-2)19(14)23-3)9-10-17-13-24-20(21-17)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9+
InChIKeyTVMCMPMXGXOWJI-MDZDMXLPSA-N
XLogP5.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole (CID 58477864) is 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole is COc1cc(/C=C/c2csc(-c3ccccc3)n2)cc(C)c1OC.
What is the InChIKey of 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole?
The InChIKey is TVMCMPMXGXOWJI-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-11-15(12-18(22-2)19(14)23-3)9-10-17-13-24-20(21-17)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9+.
What are the key properties of 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole?
4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole has a molecular weight of 337.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 58477864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).