[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

C24H25NO7S — CID 31983717

IUPAC[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)OCc1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C24H25NO7S/c1-27-18-8-6-7-17(23(18)31-5)24-25-16(14-33-24)13-32-22(26)10-9-15-11-20(29-3)21(30-4)12-19(15)28-2/h6-12,14H,13H2,1-5H3/b10-9+
InChIKeyTYQKVDUVTYYYHA-MDZDMXLPSA-N
MW471.53 g/mol
LogP4.61
Rot. Bonds10

About [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate (PubChem CID 31983717) has the molecular formula C24H25NO7S and a molecular weight of 471.53 g/mol. Its IUPAC name is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
PubChem CID31983717
Molecular FormulaC24H25NO7S
Molecular Weight471.53 g/mol
Exact Mass471.14
IUPAC Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)OCc1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C24H25NO7S/c1-27-18-8-6-7-17(23(18)31-5)24-25-16(14-33-24)13-32-22(26)10-9-15-11-20(29-3)21(30-4)12-19(15)28-2/h6-12,14H,13H2,1-5H3/b10-9+
InChIKeyTYQKVDUVTYYYHA-MDZDMXLPSA-N
XLogP4.61
TPSA85.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2-methylphenyl)prop-2-enoate
CID 7850382
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 7793067
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-carbamoylbenzoate
CID 30799981
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7670150
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813128
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-hydroxy-5-methoxybenzoate
CID 16542545
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-methylpyrrole-2-carboxylate
CID 7229069
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608100
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885967
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7966259

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate (CID 31983717) is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate is COc1cc(OC)c(OC)cc1/C=C/C(=O)OCc1csc(-c2cccc(OC)c2OC)n1.
What is the InChIKey of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate?
The InChIKey is TYQKVDUVTYYYHA-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H25NO7S/c1-27-18-8-6-7-17(23(18)31-5)24-25-16(14-33-24)13-32-22(26)10-9-15-11-20(29-3)21(30-4)12-19(15)28-2/h6-12,14H,13H2,1-5H3/b10-9+.
What are the key properties of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate?
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate has a molecular weight of 471.53 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 31983717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).