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

C17H19NO5S — CID 67526445

IUPACethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1csc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C17H19NO5S/c1-5-23-15(19)7-6-12-10-24-17(18-12)11-8-13(20-2)16(22-4)14(9-11)21-3/h6-10H,5H2,1-4H3/b7-6+
InChIKeyVCJNZIOHPADOLC-VOTSOKGWSA-N
MW349.41 g/mol
LogP3.41
Rot. Bonds7

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

ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate (PubChem CID 67526445) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate
PubChem CID67526445
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Nameethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1csc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C17H19NO5S/c1-5-23-15(19)7-6-12-10-24-17(18-12)11-8-13(20-2)16(22-4)14(9-11)21-3/h6-10H,5H2,1-4H3/b7-6+
InChIKeyVCJNZIOHPADOLC-VOTSOKGWSA-N
XLogP3.41
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate
CID 17429631
ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate
CID 15053530
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
[3-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 24671230
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
CID 58477911
4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
CID 58477864
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253477
ethyl (E)-3-(3,5-dichloro-4-methoxyphenyl)prop-2-enoate
CID 67390103
ethyl 3-(5,6-diamino-2-methyl-3-pyridinyl)prop-2-enoate
CID 169480433
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 12813043

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate (CID 67526445) is ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate is CCOC(=O)/C=C/c1csc(-c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate?
The InChIKey is VCJNZIOHPADOLC-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-5-23-15(19)7-6-12-10-24-17(18-12)11-8-13(20-2)16(22-4)14(9-11)21-3/h6-10H,5H2,1-4H3/b7-6+.
What are the key properties of ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate?
ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate has a molecular weight of 349.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate is sourced from PubChem (CID 67526445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).