2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one

C16H24N2OS — CID 170744564

IUPAC2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1nc(C(C)(C)C)sc1C2
InChIInChI=1S/C16H24N2OS/c1-15(2,3)14-17-13-11(19)9-16(10-12(13)20-14)5-7-18(4)8-6-16/h5-10H2,1-4H3
InChIKeyWFRBKHBLYYITGY-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.28
Rot. Bonds

About 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one

2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one (PubChem CID 170744564) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
PubChem CID170744564
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1nc(C(C)(C)C)sc1C2
InChIInChI=1S/C16H24N2OS/c1-15(2,3)14-17-13-11(19)9-16(10-12(13)20-14)5-7-18(4)8-6-16/h5-10H2,1-4H3
InChIKeyWFRBKHBLYYITGY-UHFFFAOYSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The IUPAC name of 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one (CID 170744564) is 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one.
What is the SMILES notation for 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The canonical SMILES for 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one is CN1CCC2(CC1)CC(=O)c1nc(C(C)(C)C)sc1C2.
What is the InChIKey of 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The InChIKey is WFRBKHBLYYITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-15(2,3)14-17-13-11(19)9-16(10-12(13)20-14)5-7-18(4)8-6-16/h5-10H2,1-4H3.
What are the key properties of 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-methylspiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one is sourced from PubChem (CID 170744564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).