4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol

C15H10N2O2S — CID 12926142

IUPAC4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol
SMILESOc1ccc(-c2cn3c(n2)sc2ccccc23)cc1O
InChIInChI=1S/C15H10N2O2S/c18-12-6-5-9(7-13(12)19)10-8-17-11-3-1-2-4-14(11)20-15(17)16-10/h1-8,18-19H
InChIKeyAMIPQCVMASDKMK-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.63
Rot. Bonds1

About 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol

4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol (PubChem CID 12926142) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol
PubChem CID12926142
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol
SMILESOc1ccc(-c2cn3c(n2)sc2ccccc23)cc1O
InChIInChI=1S/C15H10N2O2S/c18-12-6-5-9(7-13(12)19)10-8-17-11-3-1-2-4-14(11)20-15(17)16-10/h1-8,18-19H
InChIKeyAMIPQCVMASDKMK-UHFFFAOYSA-N
XLogP3.63
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol?
The IUPAC name of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol (CID 12926142) is 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol?
The canonical SMILES for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol is Oc1ccc(-c2cn3c(n2)sc2ccccc23)cc1O.
What is the InChIKey of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol?
The InChIKey is AMIPQCVMASDKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-12-6-5-9(7-13(12)19)10-8-17-11-3-1-2-4-14(11)20-15(17)16-10/h1-8,18-19H.
What are the key properties of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol?
4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol has a molecular weight of 282.32 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol is sourced from PubChem (CID 12926142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).