3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione

C13H14N2O3S — CID 146350908

IUPAC3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc2c(c1)CN(C1CCC(=O)NC1=O)S2
InChIInChI=1S/C13H14N2O3S/c1-18-9-2-4-11-8(6-9)7-15(19-11)10-3-5-12(16)14-13(10)17/h2,4,6,10H,3,5,7H2,1H3,(H,14,16,17)
InChIKeyREYWFPWCPKAZPX-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.32
Rot. Bonds2

About 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione

3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione (PubChem CID 146350908) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione
PubChem CID146350908
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc2c(c1)CN(C1CCC(=O)NC1=O)S2
InChIInChI=1S/C13H14N2O3S/c1-18-9-2-4-11-8(6-9)7-15(19-11)10-3-5-12(16)14-13(10)17/h2,4,6,10H,3,5,7H2,1H3,(H,14,16,17)
InChIKeyREYWFPWCPKAZPX-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 139483267
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 159386129
13-methoxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-5-one
CID 3662313
3-[6-[(4-methylcyclohexyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155331384
3-[5-(2-iodoethoxy)-1-sulfanyl-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176674251
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
3-[5-(2-chloroethoxy)-1-sulfanyl-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176674228
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxynaphthalene-2-carboxamide
CID 166819388
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione (CID 146350908) is 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione is COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)S2.
What is the InChIKey of 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione?
The InChIKey is REYWFPWCPKAZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-9-2-4-11-8(6-9)7-15(19-11)10-3-5-12(16)14-13(10)17/h2,4,6,10H,3,5,7H2,1H3,(H,14,16,17).
What are the key properties of 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione?
3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione has a molecular weight of 278.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 146350908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).