2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C13H20N2O2S — CID 102968473

IUPAC2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCOC1CCCN(c2nc3c(s2)CCCC3O)C1
InChIInChI=1S/C13H20N2O2S/c1-17-9-4-3-7-15(8-9)13-14-12-10(16)5-2-6-11(12)18-13/h9-10,16H,2-8H2,1H3
InChIKeyYGRUKEOHQLIUPB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds2

About 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 102968473) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID102968473
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCOC1CCCN(c2nc3c(s2)CCCC3O)C1
InChIInChI=1S/C13H20N2O2S/c1-17-9-4-3-7-15(8-9)13-14-12-10(16)5-2-6-11(12)18-13/h9-10,16H,2-8H2,1H3
InChIKeyYGRUKEOHQLIUPB-UHFFFAOYSA-N
XLogP2.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 102968473) is 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is COC1CCCN(c2nc3c(s2)CCCC3O)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is YGRUKEOHQLIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-9-4-3-7-15(8-9)13-14-12-10(16)5-2-6-11(12)18-13/h9-10,16H,2-8H2,1H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 268.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 102968473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).