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

C17H24N2OS — CID 170744685

IUPAC2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
SMILESCC1(c2nc3c(s2)CC2(CCNCC2)CC3=O)CCCC1
InChIInChI=1S/C17H24N2OS/c1-16(4-2-3-5-16)15-19-14-12(20)10-17(11-13(14)21-15)6-8-18-9-7-17/h18H,2-11H2,1H3
InChIKeyGDWLSUQZGWHIIW-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.47
Rot. Bonds1

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

2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one (PubChem CID 170744685) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
PubChem CID170744685
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one
SMILESCC1(c2nc3c(s2)CC2(CCNCC2)CC3=O)CCCC1
InChIInChI=1S/C17H24N2OS/c1-16(4-2-3-5-16)15-19-14-12(20)10-17(11-13(14)21-15)6-8-18-9-7-17/h18H,2-11H2,1H3
InChIKeyGDWLSUQZGWHIIW-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The IUPAC name of 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one (CID 170744685) is 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one.
What is the SMILES notation for 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The canonical SMILES for 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one is CC1(c2nc3c(s2)CC2(CCNCC2)CC3=O)CCCC1.
What is the InChIKey of 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
The InChIKey is GDWLSUQZGWHIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-16(4-2-3-5-16)15-19-14-12(20)10-17(11-13(14)21-15)6-8-18-9-7-17/h18H,2-11H2,1H3.
What are the key properties of 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one?
2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one has a molecular weight of 304.46 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopentyl)spiro[5,7-dihydro-1,3-benzothiazole-6,4'-piperidine]-4-one is sourced from PubChem (CID 170744685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).