ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate

C15H15ClN2O4S — CID 4109843

IUPACethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)COc2ccc(Cl)cc2)sc1C
InChIInChI=1S/C15H15ClN2O4S/c1-3-21-14(20)13-9(2)23-15(18-13)17-12(19)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyOBZGNRJGYLWTGW-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.30
Rot. Bonds6

About ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 4109843) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID4109843
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Nameethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)COc2ccc(Cl)cc2)sc1C
InChIInChI=1S/C15H15ClN2O4S/c1-3-21-14(20)13-9(2)23-15(18-13)17-12(19)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyOBZGNRJGYLWTGW-UHFFFAOYSA-N
XLogP3.30
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 4109843) is ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(=O)COc2ccc(Cl)cc2)sc1C.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is OBZGNRJGYLWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-3-21-14(20)13-9(2)23-15(18-13)17-12(19)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 354.82 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4109843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).