4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol

C11H10N2O2S — CID 877570

IUPAC4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cn3c(n2)SCC3)cc1O
InChIInChI=1S/C11H10N2O2S/c14-9-2-1-7(5-10(9)15)8-6-13-3-4-16-11(13)12-8/h1-2,5-6,14-15H,3-4H2
InChIKeyPYPBLOIYODUALV-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.07
Rot. Bonds1

About 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol

4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol (PubChem CID 877570) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol
PubChem CID877570
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cn3c(n2)SCC3)cc1O
InChIInChI=1S/C11H10N2O2S/c14-9-2-1-7(5-10(9)15)8-6-13-3-4-16-11(13)12-8/h1-2,5-6,14-15H,3-4H2
InChIKeyPYPBLOIYODUALV-UHFFFAOYSA-N
XLogP2.07
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.07
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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Related Compounds

4-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 700755
2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol
CID 10775929
6-(3,4-Dimethoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 16196313
4-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol
CID 72708597
2-[(E)-[6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 135448230
2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 135519427
4-(Imidazo[2,1-b]thiazol-6-yl)phenol
CID 3523080
6-(4-Methoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 721510
4-Imidazo[2,1-b][1,3]benzothiazol-2-ylbenzene-1,2-diol
CID 12926142
4-[5-(4-Hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 13526439
4-(1-Oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 86249940
4-(1,1-Dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 86249941

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol?
The IUPAC name of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol (CID 877570) is 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol is Oc1ccc(-c2cn3c(n2)SCC3)cc1O.
What is the InChIKey of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol?
The InChIKey is PYPBLOIYODUALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-9-2-1-7(5-10(9)15)8-6-13-3-4-16-11(13)12-8/h1-2,5-6,14-15H,3-4H2.
What are the key properties of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol?
4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol has a molecular weight of 234.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol is sourced from PubChem (CID 877570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).