3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione

C16H18N2O2S — CID 170132903

IUPAC3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione
SMILESCC(C)(C)c1cccc2sc(C3CCC(=O)NC3=O)nc12
InChIInChI=1S/C16H18N2O2S/c1-16(2,3)10-5-4-6-11-13(10)18-15(21-11)9-7-8-12(19)17-14(9)20/h4-6,9H,7-8H2,1-3H3,(H,17,19,20)
InChIKeyQLLJOJWZZJVRGX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.11
Rot. Bonds1

About 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione

3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione (PubChem CID 170132903) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione
PubChem CID170132903
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione
SMILESCC(C)(C)c1cccc2sc(C3CCC(=O)NC3=O)nc12
InChIInChI=1S/C16H18N2O2S/c1-16(2,3)10-5-4-6-11-13(10)18-15(21-11)9-7-8-12(19)17-14(9)20/h4-6,9H,7-8H2,1-3H3,(H,17,19,20)
InChIKeyQLLJOJWZZJVRGX-UHFFFAOYSA-N
XLogP3.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione (CID 170132903) is 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione is CC(C)(C)c1cccc2sc(C3CCC(=O)NC3=O)nc12.
What is the InChIKey of 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione?
The InChIKey is QLLJOJWZZJVRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-16(2,3)10-5-4-6-11-13(10)18-15(21-11)9-7-8-12(19)17-14(9)20/h4-6,9H,7-8H2,1-3H3,(H,17,19,20).
What are the key properties of 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione?
3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione has a molecular weight of 302.40 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 170132903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).