ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate

C19H23N3O5S2 — CID 55333562

IUPACethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C19H23N3O5S2/c1-3-27-18(24)15-12-28-19(20-15)21-17(23)14-8-7-13(2)16(11-14)29(25,26)22-9-5-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,23)
InChIKeyDAKJSIJDUGYRQW-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.06
Rot. Bonds6

About ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 55333562) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID55333562
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Nameethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C19H23N3O5S2/c1-3-27-18(24)15-12-28-19(20-15)21-17(23)14-8-7-13(2)16(11-14)29(25,26)22-9-5-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,23)
InChIKeyDAKJSIJDUGYRQW-UHFFFAOYSA-N
XLogP3.06
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333395
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333508
ethyl 2-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 55333442
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]-1,3-thiazole-4-carboxylate
CID 5190047
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865509
4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 46680057
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1081046
ethyl 2-[[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55374519
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333530
4-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 55334199

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 55333562) is ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1.
What is the InChIKey of ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is DAKJSIJDUGYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-3-27-18(24)15-12-28-19(20-15)21-17(23)14-8-7-13(2)16(11-14)29(25,26)22-9-5-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,23).
What are the key properties of ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55333562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).