1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]

C12H16N2S — CID 2826310

IUPAC1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]
SMILESCN1CCC2(CC1)Nc1ccccc1S2
InChIInChI=1S/C12H16N2S/c1-14-8-6-12(7-9-14)13-10-4-2-3-5-11(10)15-12/h2-5,13H,6-9H2,1H3
InChIKeyRWWBHYARSJBVJP-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.63
Rot. Bonds

About 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]

1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine] (PubChem CID 2826310) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine].

Molecular Properties

Compound Name1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]
PubChem CID2826310
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]
SMILESCN1CCC2(CC1)Nc1ccccc1S2
InChIInChI=1S/C12H16N2S/c1-14-8-6-12(7-9-14)13-10-4-2-3-5-11(10)15-12/h2-5,13H,6-9H2,1H3
InChIKeyRWWBHYARSJBVJP-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]?
The IUPAC name of 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine] (CID 2826310) is 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine].
What is the SMILES notation for 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]?
The canonical SMILES for 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine] is CN1CCC2(CC1)Nc1ccccc1S2.
What is the InChIKey of 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]?
The InChIKey is RWWBHYARSJBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-14-8-6-12(7-9-14)13-10-4-2-3-5-11(10)15-12/h2-5,13H,6-9H2,1H3.
What are the key properties of 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine]?
1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine] has a molecular weight of 220.34 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[3H-1,3-benzothiazole-2,4'-piperidine] is sourced from PubChem (CID 2826310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).