ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

C14H15NO4S — CID 53271349

IUPACethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1-c1cccc(OC)c1OC
InChIInChI=1S/C14H15NO4S/c1-4-19-14(16)11-13(20-8-15-11)9-6-5-7-10(17-2)12(9)18-3/h5-8H,4H2,1-3H3
InChIKeyTZSQXYDSZIJYEV-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.00
Rot. Bonds5

About ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 53271349) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID53271349
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Nameethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1-c1cccc(OC)c1OC
InChIInChI=1S/C14H15NO4S/c1-4-19-14(16)11-13(20-8-15-11)9-6-5-7-10(17-2)12(9)18-3/h5-8H,4H2,1-3H3
InChIKeyTZSQXYDSZIJYEV-UHFFFAOYSA-N
XLogP3.00
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate 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

ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324
methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 53271143
ethyl 5-(2-ethoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169399469
ethyl 5-(2,3-dimethoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
CID 53271325
methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271159
ethyl 5-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 59291414
methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271259
2-[2-(5-ethoxycarbonyl-2H-triazol-4-yl)-6-methoxyphenoxy]propanoic acid
CID 169400503
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510751
ethyl 5-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169400705
ethyl 1-(2,3-dimethoxyphenyl)-5,6,7-trimethoxyisoquinoline-3-carboxylate
CID 10862860

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate (CID 53271349) is ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1-c1cccc(OC)c1OC.
What is the InChIKey of ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is TZSQXYDSZIJYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-19-14(16)11-13(20-8-15-11)9-6-5-7-10(17-2)12(9)18-3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).