2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol

C11H8N2O2S — CID 10775929

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol
SMILESOc1ccc(O)c(-c2cn3ccsc3n2)c1
InChIInChI=1S/C11H8N2O2S/c14-7-1-2-10(15)8(5-7)9-6-13-3-4-16-11(13)12-9/h1-6,14-15H
InChIKeyRNSZNZFGNZQNSJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.47
Rot. Bonds1

About 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol

2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol (PubChem CID 10775929) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol
PubChem CID10775929
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol
SMILESOc1ccc(O)c(-c2cn3ccsc3n2)c1
InChIInChI=1S/C11H8N2O2S/c14-7-1-2-10(15)8(5-7)9-6-13-3-4-16-11(13)12-9/h1-6,14-15H
InChIKeyRNSZNZFGNZQNSJ-UHFFFAOYSA-N
XLogP2.47
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol (CID 10775929) is 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol is Oc1ccc(O)c(-c2cn3ccsc3n2)c1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol?
The InChIKey is RNSZNZFGNZQNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-7-1-2-10(15)8(5-7)9-6-13-3-4-16-11(13)12-9/h1-6,14-15H.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol?
2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol has a molecular weight of 232.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol is sourced from PubChem (CID 10775929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).