[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate

C16H18N2O5S — CID 46924909

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2nccs2)cc1OCC
InChIInChI=1S/C16H18N2O5S/c1-3-21-12-6-5-11(9-13(12)22-4-2)15(20)23-10-14(19)18-16-17-7-8-24-16/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyCVCVTAQEUKJJGT-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.74
Rot. Bonds8

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate (PubChem CID 46924909) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
PubChem CID46924909
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2nccs2)cc1OCC
InChIInChI=1S/C16H18N2O5S/c1-3-21-12-6-5-11(9-13(12)22-4-2)15(20)23-10-14(19)18-16-17-7-8-24-16/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyCVCVTAQEUKJJGT-UHFFFAOYSA-N
XLogP2.74
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate 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-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561770
methyl 4-amino-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoate
CID 93204037
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381928
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
ethyl 3,4-diethoxybenzoate
CID 586407
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698271
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate
CID 5223064

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate (CID 46924909) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2nccs2)cc1OCC.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate?
The InChIKey is CVCVTAQEUKJJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-3-21-12-6-5-11(9-13(12)22-4-2)15(20)23-10-14(19)18-16-17-7-8-24-16/h5-9H,3-4,10H2,1-2H3,(H,17,18,19).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate has a molecular weight of 350.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate is sourced from PubChem (CID 46924909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).