ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C17H19BrN2O5S — CID 4817060

IUPACethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(Br)c(OCC)c(OC)c2)nc1C
InChIInChI=1S/C17H19BrN2O5S/c1-5-24-13-11(18)7-10(8-12(13)23-4)15(21)20-17-19-9(3)14(26-17)16(22)25-6-2/h7-8H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyQIYKPTSBPSYPMG-UHFFFAOYSA-N
MW443.32 g/mol
LogP4.05
Rot. Bonds7

About ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 4817060) has the molecular formula C17H19BrN2O5S and a molecular weight of 443.32 g/mol. Its IUPAC name is ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID4817060
Molecular FormulaC17H19BrN2O5S
Molecular Weight443.32 g/mol
Exact Mass442.02
IUPAC Nameethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(Br)c(OCC)c(OC)c2)nc1C
InChIInChI=1S/C17H19BrN2O5S/c1-5-24-13-11(18)7-10(8-12(13)23-4)15(21)20-17-19-9(3)14(26-17)16(22)25-6-2/h7-8H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyQIYKPTSBPSYPMG-UHFFFAOYSA-N
XLogP4.05
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4814407
ethyl 2-[(3-chloro-4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1047479
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1126047
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149547
ethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 5132858
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
ethyl 4-methyl-2-[(6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18149014
3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18076244
3-bromo-4-ethoxy-5-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4800118
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 35027407

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 4817060) is ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc(Br)c(OCC)c(OC)c2)nc1C.
What is the InChIKey of ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is QIYKPTSBPSYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S/c1-5-24-13-11(18)7-10(8-12(13)23-4)15(21)20-17-19-9(3)14(26-17)16(22)25-6-2/h7-8H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 443.32 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4817060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).