methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

C15H15ClN2O4S — CID 108802948

IUPACmethyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CCOc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H15ClN2O4S/c1-9-13(14(20)21-2)23-15(17-9)18-12(19)7-8-22-11-5-3-10(16)4-6-11/h3-6H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyVSILTRSJSMVXAD-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.30
Rot. Bonds6

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

methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 108802948) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID108802948
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Namemethyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CCOc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H15ClN2O4S/c1-9-13(14(20)21-2)23-15(17-9)18-12(19)7-8-22-11-5-3-10(16)4-6-11/h3-6H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyVSILTRSJSMVXAD-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 methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-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 methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 108802948) is methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)CCOc2ccc(Cl)cc2)nc1C.
What is the InChIKey of methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VSILTRSJSMVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-9-13(14(20)21-2)23-15(17-9)18-12(19)7-8-22-11-5-3-10(16)4-6-11/h3-6H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[3-(4-chlorophenoxy)propanoylamino]-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 methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 108802948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).