5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one

C23H26N2O3S — CID 67972261

IUPAC5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESCc1cccc(C)c1N1CCC[C@H](COc2ccc(C3=CC(=O)NS3=O)cc2)C1
InChIInChI=1S/C23H26N2O3S/c1-16-5-3-6-17(2)23(16)25-12-4-7-18(14-25)15-28-20-10-8-19(9-11-20)21-13-22(26)24-29(21)27/h3,5-6,8-11,13,18H,4,7,12,14-15H2,1-2H3,(H,24,26)/t18-,29?/m0/s1
InChIKeySLBUCULDSQJWLX-STFFIMJZSA-N
MW410.54 g/mol
LogP3.73
Rot. Bonds5

About 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 67972261) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
PubChem CID67972261
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESCc1cccc(C)c1N1CCC[C@H](COc2ccc(C3=CC(=O)NS3=O)cc2)C1
InChIInChI=1S/C23H26N2O3S/c1-16-5-3-6-17(2)23(16)25-12-4-7-18(14-25)15-28-20-10-8-19(9-11-20)21-13-22(26)24-29(21)27/h3,5-6,8-11,13,18H,4,7,12,14-15H2,1-2H3,(H,24,26)/t18-,29?/m0/s1
InChIKeySLBUCULDSQJWLX-STFFIMJZSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one 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

1-chloro-3-[(4-phenylphenoxy)methyl]piperidine
CID 87276184
(4Z)-2-[4-[[1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methoxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocine-4,8-diol
CID 123879143
2-[4-[[1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methoxy]phenyl]-6-methyl-8-methylidene-1,3,6,2-dioxazaborocan-4-one
CID 89183662
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123429748
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one
CID 133308219
2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97274690
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
3-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577725
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 67972261) is 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one is Cc1cccc(C)c1N1CCC[C@H](COc2ccc(C3=CC(=O)NS3=O)cc2)C1.
What is the InChIKey of 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is SLBUCULDSQJWLX-STFFIMJZSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16-5-3-6-17(2)23(16)25-12-4-7-18(14-25)15-28-20-10-8-19(9-11-20)21-13-22(26)24-29(21)27/h3,5-6,8-11,13,18H,4,7,12,14-15H2,1-2H3,(H,24,26)/t18-,29?/m0/s1.
What are the key properties of 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?
5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 410.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3S)-1-(2,6-dimethylphenyl)piperidin-3-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 67972261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).