(3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one

C12H12N2O2S — CID 164630025

IUPAC(3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one
SMILESO=C1NCCC[C@@H]1Oc1nc2ccccc2s1
InChIInChI=1S/C12H12N2O2S/c15-11-9(5-3-7-13-11)16-12-14-8-4-1-2-6-10(8)17-12/h1-2,4,6,9H,3,5,7H2,(H,13,15)/t9-/m0/s1
InChIKeyUANDZJBMPYYKOH-VIFPVBQESA-N
MW248.31 g/mol
LogP1.95
Rot. Bonds2

About (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one

(3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one (PubChem CID 164630025) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one
PubChem CID164630025
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one
SMILESO=C1NCCC[C@@H]1Oc1nc2ccccc2s1
InChIInChI=1S/C12H12N2O2S/c15-11-9(5-3-7-13-11)16-12-14-8-4-1-2-6-10(8)17-12/h1-2,4,6,9H,3,5,7H2,(H,13,15)/t9-/m0/s1
InChIKeyUANDZJBMPYYKOH-VIFPVBQESA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-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

4-(1,3-benzothiazol-2-yloxy)cyclohexan-1-one
CID 138676550
3-(1,3-benzothiazol-2-ylmethylsulfanyl)azepan-2-one
CID 71878774
2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole
CID 156527432
2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
CID 71636954
2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole
CID 70466248
2-(pyrrolidin-3-ylmethoxy)-1,3-benzothiazole
CID 62372647
(1S,6S)-6-(1,3-benzothiazol-2-yl)-N-[(3S)-2-oxopiperidin-3-yl]cyclohex-3-ene-1-carboxamide
CID 98787034
2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
CID 71636566
(3S)-3-[3-(1,3-benzothiazol-2-yl)-3-oxopropyl]pyrrolidin-2-one
CID 170307610
(2-oxoazepan-3-yl) (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 16619887
2-methylsulfanyloxy-1,3-benzothiazole
CID 175220247
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one?
The IUPAC name of (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one (CID 164630025) is (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one.
What is the SMILES notation for (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one?
The canonical SMILES for (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one is O=C1NCCC[C@@H]1Oc1nc2ccccc2s1.
What is the InChIKey of (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one?
The InChIKey is UANDZJBMPYYKOH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-11-9(5-3-7-13-11)16-12-14-8-4-1-2-6-10(8)17-12/h1-2,4,6,9H,3,5,7H2,(H,13,15)/t9-/m0/s1.
What are the key properties of (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one?
(3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one has a molecular weight of 248.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one is sourced from PubChem (CID 164630025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).