2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol

C14H19N3O2S — CID 82695711

IUPAC2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol
SMILESNc1c(N2CCC(OCCO)CC2)ccc2scnc12
InChIInChI=1S/C14H19N3O2S/c15-13-11(1-2-12-14(13)16-9-20-12)17-5-3-10(4-6-17)19-8-7-18/h1-2,9-10,18H,3-8,15H2
InChIKeyVDHOBDUQBOGLFS-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol

2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol (PubChem CID 82695711) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol
PubChem CID82695711
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol
SMILESNc1c(N2CCC(OCCO)CC2)ccc2scnc12
InChIInChI=1S/C14H19N3O2S/c15-13-11(1-2-12-14(13)16-9-20-12)17-5-3-10(4-6-17)19-8-7-18/h1-2,9-10,18H,3-8,15H2
InChIKeyVDHOBDUQBOGLFS-UHFFFAOYSA-N
XLogP1.86
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol (CID 82695711) is 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol is Nc1c(N2CCC(OCCO)CC2)ccc2scnc12.
What is the InChIKey of 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol?
The InChIKey is VDHOBDUQBOGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-13-11(1-2-12-14(13)16-9-20-12)17-5-3-10(4-6-17)19-8-7-18/h1-2,9-10,18H,3-8,15H2.
What are the key properties of 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol?
2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol has a molecular weight of 293.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1,3-benzothiazol-5-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82695711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).