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

C15H15ClN2O4S — CID 1219698

IUPACethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H15ClN2O4S/c1-3-21-14(20)13-9(2)17-15(23-13)18-12(19)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyLZZLVAUOTURKOU-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.30
Rot. Bonds6

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

ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 1219698) 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]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID1219698
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Nameethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H15ClN2O4S/c1-3-21-14(20)13-9(2)17-15(23-13)18-12(19)8-22-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyLZZLVAUOTURKOU-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 1219698) is ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is LZZLVAUOTURKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-3-21-14(20)13-9(2)17-15(23-13)18-12(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]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-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]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1219698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).