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

C17H17N5O2S — CID 164615841

IUPAC1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]azetidin-3-ol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CC(O)C2)o1
InChIInChI=1S/C17H17N5O2S/c1-10-15(22-12-4-2-3-5-13(12)25-17(22)18-10)16-20-19-14(24-16)6-7-21-8-11(23)9-21/h2-5,11,23H,6-9H2,1H3
InChIKeyOZLUUVUZCSIMTG-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.13
Rot. Bonds4

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

1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]azetidin-3-ol (PubChem CID 164615841) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 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]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]azetidin-3-ol
PubChem CID164615841
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]azetidin-3-ol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CC(O)C2)o1
InChIInChI=1S/C17H17N5O2S/c1-10-15(22-12-4-2-3-5-13(12)25-17(22)18-10)16-20-19-14(24-16)6-7-21-8-11(23)9-21/h2-5,11,23H,6-9H2,1H3
InChIKeyOZLUUVUZCSIMTG-UHFFFAOYSA-N
XLogP2.13
TPSA79.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.13
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]azetidin-3-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]azetidin-3-ol (CID 164615841) is 1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]azetidin-3-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]azetidin-3-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]azetidin-3-ol is Cc1nc2sc3ccccc3n2c1-c1nnc(CCN2CC(O)C2)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]azetidin-3-ol?
The InChIKey is OZLUUVUZCSIMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-15(22-12-4-2-3-5-13(12)25-17(22)18-10)16-20-19-14(24-16)6-7-21-8-11(23)9-21/h2-5,11,23H,6-9H2,1H3.
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]azetidin-3-ol?
1-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]azetidin-3-ol has a molecular weight of 355.42 g/mol, XLogP of 2.13, 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]azetidin-3-ol is sourced from PubChem (CID 164615841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).