2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one

C16H22N2OS — CID 170744536

IUPAC2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
SMILESCC1(c2nc3c(s2)CC2(CCNCC2)CC3=O)CCC1
InChIInChI=1S/C16H22N2OS/c1-15(3-2-4-15)14-18-13-11(19)9-16(10-12(13)20-14)5-7-17-8-6-16/h17H,2-10H2,1H3
InChIKeyMXGZXFBOBWAHPC-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.08
Rot. Bonds1

About 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one

2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one (PubChem CID 170744536) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
PubChem CID170744536
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
SMILESCC1(c2nc3c(s2)CC2(CCNCC2)CC3=O)CCC1
InChIInChI=1S/C16H22N2OS/c1-15(3-2-4-15)14-18-13-11(19)9-16(10-12(13)20-14)5-7-17-8-6-16/h17H,2-10H2,1H3
InChIKeyMXGZXFBOBWAHPC-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The IUPAC name of 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one (CID 170744536) is 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one.
What is the SMILES notation for 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The canonical SMILES for 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one is CC1(c2nc3c(s2)CC2(CCNCC2)CC3=O)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The InChIKey is MXGZXFBOBWAHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-15(3-2-4-15)14-18-13-11(19)9-16(10-12(13)20-14)5-7-17-8-6-16/h17H,2-10H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one has a molecular weight of 290.43 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one is sourced from PubChem (CID 170744536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).