4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole

C17H15NO2S2 — CID 4620919

IUPAC4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C=Cc3cccs3)n2)cc1OC
InChIInChI=1S/C17H15NO2S2/c1-19-15-7-5-12(10-16(15)20-2)14-11-22-17(18-14)8-6-13-4-3-9-21-13/h3-11H,1-2H3
InChIKeyLKHPLQUZVRNQQL-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.06
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole

4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole (PubChem CID 4620919) has the molecular formula C17H15NO2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
PubChem CID4620919
Molecular FormulaC17H15NO2S2
Molecular Weight329.45 g/mol
Exact Mass329.05
IUPAC Name4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C=Cc3cccs3)n2)cc1OC
InChIInChI=1S/C17H15NO2S2/c1-19-15-7-5-12(10-16(15)20-2)14-11-22-17(18-14)8-6-13-4-3-9-21-13/h3-11H,1-2H3
InChIKeyLKHPLQUZVRNQQL-UHFFFAOYSA-N
XLogP5.06
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
CID 7967432
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 7968999
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 8865155
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole
CID 8865200
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-[2-[4-(4-tert-butylphenoxy)-3-nitrophenyl]ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 4001095
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole (CID 4620919) is 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole is COc1ccc(-c2csc(C=Cc3cccs3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole?
The InChIKey is LKHPLQUZVRNQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S2/c1-19-15-7-5-12(10-16(15)20-2)14-11-22-17(18-14)8-6-13-4-3-9-21-13/h3-11H,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole?
4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole has a molecular weight of 329.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole is sourced from PubChem (CID 4620919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).