2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione

C17H17N3O2S — CID 99872305

IUPAC2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H]1CCCN(c2nccs2)C1
InChIInChI=1S/C17H17N3O2S/c21-15-13-5-1-2-6-14(13)16(22)20(15)11-12-4-3-8-19(10-12)17-18-7-9-23-17/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m1/s1
InChIKeyLRYYGPQPBFHDSM-GFCCVEGCSA-N
MW327.41 g/mol
LogP2.66
Rot. Bonds3

About 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione

2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione (PubChem CID 99872305) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione
PubChem CID99872305
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H]1CCCN(c2nccs2)C1
InChIInChI=1S/C17H17N3O2S/c21-15-13-5-1-2-6-14(13)16(22)20(15)11-12-4-3-8-19(10-12)17-18-7-9-23-17/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m1/s1
InChIKeyLRYYGPQPBFHDSM-GFCCVEGCSA-N
XLogP2.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione 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

N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619529
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875799
2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
CID 138988972
3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole
CID 95866929
4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 121145108

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione (CID 99872305) is 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@@H]1CCCN(c2nccs2)C1.
What is the InChIKey of 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione?
The InChIKey is LRYYGPQPBFHDSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-15-13-5-1-2-6-14(13)16(22)20(15)11-12-4-3-8-19(10-12)17-18-7-9-23-17/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m1/s1.
What are the key properties of 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione?
2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione has a molecular weight of 327.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 99872305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).