ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate

C16H18N2O6S — CID 1359240

IUPACethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C16H18N2O6S/c1-5-24-15(20)10-8-25-16(17-10)18-14(19)9-6-11(21-2)13(23-4)12(7-9)22-3/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyLJGZQNJELGQPPJ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.60
Rot. Bonds7

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

ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 1359240) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID1359240
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Nameethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C16H18N2O6S/c1-5-24-15(20)10-8-25-16(17-10)18-14(19)9-6-11(21-2)13(23-4)12(7-9)22-3/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyLJGZQNJELGQPPJ-UHFFFAOYSA-N
XLogP2.60
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-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-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 1359240) is ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is LJGZQNJELGQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-5-24-15(20)10-8-25-16(17-10)18-14(19)9-6-11(21-2)13(23-4)12(7-9)22-3/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1359240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).