ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate

C22H27N3O6S — CID 55333530

IUPACethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)n1
InChIInChI=1S/C22H27N3O6S/c1-3-29-18-12-15(20(27)24-22-23-16(14-32-22)21(28)30-4-2)8-9-17(18)31-13-19(26)25-10-6-5-7-11-25/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,23,24,27)
InChIKeyTTYWUWLRNVUCIJ-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.36
Rot. Bonds9

About ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 55333530) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID55333530
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Nameethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)n1
InChIInChI=1S/C22H27N3O6S/c1-3-29-18-12-15(20(27)24-22-23-16(14-32-22)21(28)30-4-2)8-9-17(18)31-13-19(26)25-10-6-5-7-11-25/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,23,24,27)
InChIKeyTTYWUWLRNVUCIJ-UHFFFAOYSA-N
XLogP3.36
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37018852
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
CID 26199007
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333562
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
CID 51248167
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate
CID 96508175
3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55514324
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate (CID 55333530) is ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)n1.
What is the InChIKey of ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is TTYWUWLRNVUCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-3-29-18-12-15(20(27)24-22-23-16(14-32-22)21(28)30-4-2)8-9-17(18)31-13-19(26)25-10-6-5-7-11-25/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H,23,24,27).
What are the key properties of ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 461.54 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55333530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).