1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol

C19H21N5O2S — CID 164625985

IUPAC1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCC(O)CC2)o1
InChIInChI=1S/C19H21N5O2S/c1-12-17(24-14-4-2-3-5-15(14)27-19(24)20-12)18-22-21-16(26-18)8-11-23-9-6-13(25)7-10-23/h2-5,13,25H,6-11H2,1H3
InChIKeyKJSMWWHBYBIMPE-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol

1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol (PubChem CID 164625985) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol
PubChem CID164625985
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCC(O)CC2)o1
InChIInChI=1S/C19H21N5O2S/c1-12-17(24-14-4-2-3-5-15(14)27-19(24)20-12)18-22-21-16(26-18)8-11-23-9-6-13(25)7-10-23/h2-5,13,25H,6-11H2,1H3
InChIKeyKJSMWWHBYBIMPE-UHFFFAOYSA-N
XLogP2.91
TPSA79.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol (CID 164625985) is 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol is Cc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCC(O)CC2)o1.
What is the InChIKey of 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol?
The InChIKey is KJSMWWHBYBIMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-17(24-14-4-2-3-5-15(14)27-19(24)20-12)18-22-21-16(26-18)8-11-23-9-6-13(25)7-10-23/h2-5,13,25H,6-11H2,1H3.
What are the key properties of 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol?
1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol has a molecular weight of 383.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 164625985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).