1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid

C15H18N2O2S — CID 56724814

IUPAC1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
SMILESCCc1ccc2nc(N3CCCCC3C(=O)O)sc2c1
InChIInChI=1S/C15H18N2O2S/c1-2-10-6-7-11-13(9-10)20-15(16-11)17-8-4-3-5-12(17)14(18)19/h6-7,9,12H,2-5,8H2,1H3,(H,18,19)
InChIKeyXGWGIBXDCCVLNT-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.30
Rot. Bonds3

About 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid

1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid (PubChem CID 56724814) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
PubChem CID56724814
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
SMILESCCc1ccc2nc(N3CCCCC3C(=O)O)sc2c1
InChIInChI=1S/C15H18N2O2S/c1-2-10-6-7-11-13(9-10)20-15(16-11)17-8-4-3-5-12(17)14(18)19/h6-7,9,12H,2-5,8H2,1H3,(H,18,19)
InChIKeyXGWGIBXDCCVLNT-UHFFFAOYSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid (CID 56724814) is 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid is CCc1ccc2nc(N3CCCCC3C(=O)O)sc2c1.
What is the InChIKey of 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The InChIKey is XGWGIBXDCCVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-10-6-7-11-13(9-10)20-15(16-11)17-8-4-3-5-12(17)14(18)19/h6-7,9,12H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 56724814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).