imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol

C10H8N2OS — CID 22224471

IUPACimidazo[2,1-b][1,3]benzothiazol-6-ylmethanol
SMILESOCc1ccc2c(c1)sc1nccn12
InChIInChI=1S/C10H8N2OS/c13-6-7-1-2-8-9(5-7)14-10-11-3-4-12(8)10/h1-5,13H,6H2
InChIKeySIMYQNRLTFBENV-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.04
Rot. Bonds1

About imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol

imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol (PubChem CID 22224471) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]benzothiazol-6-ylmethanol
PubChem CID22224471
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Nameimidazo[2,1-b][1,3]benzothiazol-6-ylmethanol
SMILESOCc1ccc2c(c1)sc1nccn12
InChIInChI=1S/C10H8N2OS/c13-6-7-1-2-8-9(5-7)14-10-11-3-4-12(8)10/h1-5,13H,6H2
InChIKeySIMYQNRLTFBENV-UHFFFAOYSA-N
XLogP2.04
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol?
The IUPAC name of imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol (CID 22224471) is imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol.
What is the SMILES notation for imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol?
The canonical SMILES for imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol is OCc1ccc2c(c1)sc1nccn12.
What is the InChIKey of imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol?
The InChIKey is SIMYQNRLTFBENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-6-7-1-2-8-9(5-7)14-10-11-3-4-12(8)10/h1-5,13H,6H2.
What are the key properties of imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol?
imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol has a molecular weight of 204.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]benzothiazol-6-ylmethanol is sourced from PubChem (CID 22224471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).