2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole

C19H15F2NO2S — CID 8865155

IUPAC2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(/C=C/c3ccc(F)c(F)c3)n2)cc1OC
InChIInChI=1S/C19H15F2NO2S/c1-23-17-7-5-13(10-18(17)24-2)16-11-25-19(22-16)8-4-12-3-6-14(20)15(21)9-12/h3-11H,1-2H3/b8-4+
InChIKeyQGBJZQVVABVDEA-XBXARRHUSA-N
MW359.40 g/mol
LogP5.28
Rot. Bonds5

About 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole

2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole (PubChem CID 8865155) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
PubChem CID8865155
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(/C=C/c3ccc(F)c(F)c3)n2)cc1OC
InChIInChI=1S/C19H15F2NO2S/c1-23-17-7-5-13(10-18(17)24-2)16-11-25-19(22-16)8-4-12-3-6-14(20)15(21)9-12/h3-11H,1-2H3/b8-4+
InChIKeyQGBJZQVVABVDEA-XBXARRHUSA-N
XLogP5.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 7968999
4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
CID 4620919
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
2-[2-[4-(4-tert-butylphenoxy)-3-nitrophenyl]ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 4001095
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole
CID 8865200
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 3681008

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole (CID 8865155) is 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(/C=C/c3ccc(F)c(F)c3)n2)cc1OC.
What is the InChIKey of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole?
The InChIKey is QGBJZQVVABVDEA-XBXARRHUSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c1-23-17-7-5-13(10-18(17)24-2)16-11-25-19(22-16)8-4-12-3-6-14(20)15(21)9-12/h3-11H,1-2H3/b8-4+.
What are the key properties of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole?
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole has a molecular weight of 359.40 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 8865155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).