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

C22H23NO4S — CID 8865200

IUPAC4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole
SMILESCCOc1cccc(/C=C/c2nc(-c3ccc(OC)c(OC)c3)cs2)c1OC
InChIInChI=1S/C22H23NO4S/c1-5-27-19-8-6-7-15(22(19)26-4)10-12-21-23-17(14-28-21)16-9-11-18(24-2)20(13-16)25-3/h6-14H,5H2,1-4H3/b12-10+
InChIKeyJELDHIRKTCJFPD-ZRDIBKRKSA-N
MW397.50 g/mol
LogP5.41
Rot. Bonds8

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

4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole (PubChem CID 8865200) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole
PubChem CID8865200
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole
SMILESCCOc1cccc(/C=C/c2nc(-c3ccc(OC)c(OC)c3)cs2)c1OC
InChIInChI=1S/C22H23NO4S/c1-5-27-19-8-6-7-15(22(19)26-4)10-12-21-23-17(14-28-21)16-9-11-18(24-2)20(13-16)25-3/h6-14H,5H2,1-4H3/b12-10+
InChIKeyJELDHIRKTCJFPD-ZRDIBKRKSA-N
XLogP5.41
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
CID 4620919
2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 7967461
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3744151
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
(Z)-3-(2,3-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7372474
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
(E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 8511573
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole (CID 8865200) is 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole is CCOc1cccc(/C=C/c2nc(-c3ccc(OC)c(OC)c3)cs2)c1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole?
The InChIKey is JELDHIRKTCJFPD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-5-27-19-8-6-7-15(22(19)26-4)10-12-21-23-17(14-28-21)16-9-11-18(24-2)20(13-16)25-3/h6-14H,5H2,1-4H3/b12-10+.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole?
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole has a molecular weight of 397.50 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 8865200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).