ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate

C19H24N2O5S2 — CID 53117908

IUPACethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)CC1
InChIInChI=1S/C19H24N2O5S2/c1-4-26-19(22)14-7-9-21(10-8-14)28(23,24)18-11-15(5-6-17(18)25-3)16-12-27-13(2)20-16/h5-6,11-12,14H,4,7-10H2,1-3H3
InChIKeyOOQHGMXLBAOGEG-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.09
Rot. Bonds6

About ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate

ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate (PubChem CID 53117908) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
PubChem CID53117908
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Nameethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)CC1
InChIInChI=1S/C19H24N2O5S2/c1-4-26-19(22)14-7-9-21(10-8-14)28(23,24)18-11-15(5-6-17(18)25-3)16-12-27-13(2)20-16/h5-6,11-12,14H,4,7-10H2,1-3H3
InChIKeyOOQHGMXLBAOGEG-UHFFFAOYSA-N
XLogP3.09
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-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

Related Compounds

ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 50838625
ethyl 1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2795657
4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-2-methyl-1,3-thiazole
CID 20974298
ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 53133193
ethyl 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 35291596
ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 3761247
N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100799509
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 100795659
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
ethyl 1-[3-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]sulfonylpiperidine-4-carboxylate
CID 6222542
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole
CID 53117960

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate (CID 53117908) is ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)CC1.
What is the InChIKey of ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The InChIKey is OOQHGMXLBAOGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-4-26-19(22)14-7-9-21(10-8-14)28(23,24)18-11-15(5-6-17(18)25-3)16-12-27-13(2)20-16/h5-6,11-12,14H,4,7-10H2,1-3H3.
What are the key properties of ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate?
ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 53117908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).