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

C18H20N2S — CID 2814800

IUPAC1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)Nc2ccccc2S3)cc1
InChIInChI=1S/C18H20N2S/c1-2-6-15(7-3-1)14-20-12-10-18(11-13-20)19-16-8-4-5-9-17(16)21-18/h1-9,19H,10-14H2
InChIKeyVNSVQTGIKLTTQJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.20
Rot. Bonds2

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

1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine] (PubChem CID 2814800) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]
PubChem CID2814800
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)Nc2ccccc2S3)cc1
InChIInChI=1S/C18H20N2S/c1-2-6-15(7-3-1)14-20-12-10-18(11-13-20)19-16-8-4-5-9-17(16)21-18/h1-9,19H,10-14H2
InChIKeyVNSVQTGIKLTTQJ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine] (CID 2814800) is 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine] is c1ccc(CN2CCC3(CC2)Nc2ccccc2S3)cc1.
What is the InChIKey of 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]?
The InChIKey is VNSVQTGIKLTTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-6-15(7-3-1)14-20-12-10-18(11-13-20)19-16-8-4-5-9-17(16)21-18/h1-9,19H,10-14H2.
What are the key properties of 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]?
1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine] has a molecular weight of 296.44 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine] is sourced from PubChem (CID 2814800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).