ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate

C13H13NO3S — CID 10015624

IUPACethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccccc2OC)n1
InChIInChI=1S/C13H13NO3S/c1-3-17-13(15)10-8-18-12(14-10)9-6-4-5-7-11(9)16-2/h4-8H,3H2,1-2H3
InChIKeyBKXAMRGQLUBAPE-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.00
Rot. Bonds4

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

ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 10015624) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID10015624
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Nameethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccccc2OC)n1
InChIInChI=1S/C13H13NO3S/c1-3-17-13(15)10-8-18-12(14-10)9-6-4-5-7-11(9)16-2/h4-8H,3H2,1-2H3
InChIKeyBKXAMRGQLUBAPE-UHFFFAOYSA-N
XLogP3.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-methoxyphenyl)-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

2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic Acid
CID 1473790
2-(4-Methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 4554836
2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid
CID 136077166
Ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylate
CID 2742270
(2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)acetic acid
CID 738083
Sodium 2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 44455440
Ethyl 2-[2-(4-octylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 118712624
Aeruginaldehyde
CID 136259032
2-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid
CID 2742272
2-(4-Methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 2763565
2-(2-Methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623068
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2339979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 10015624) is ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccccc2OC)n1.
What is the InChIKey of ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is BKXAMRGQLUBAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-17-13(15)10-8-18-12(14-10)9-6-4-5-7-11(9)16-2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10015624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).