4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol

C12H10N2O3S — CID 72708597

IUPAC4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol
SMILESCc1cn2cc(-c3ccc(O)c(O)c3O)nc2s1
InChIInChI=1S/C12H10N2O3S/c1-6-4-14-5-8(13-12(14)18-6)7-2-3-9(15)11(17)10(7)16/h2-5,15-17H,1H3
InChIKeyUAMAHXVQDCGFBA-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.49
Rot. Bonds1

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

4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol (PubChem CID 72708597) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol
PubChem CID72708597
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol
SMILESCc1cn2cc(-c3ccc(O)c(O)c3O)nc2s1
InChIInChI=1S/C12H10N2O3S/c1-6-4-14-5-8(13-12(14)18-6)7-2-3-9(15)11(17)10(7)16/h2-5,15-17H,1H3
InChIKeyUAMAHXVQDCGFBA-UHFFFAOYSA-N
XLogP2.49
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol?
The IUPAC name of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol (CID 72708597) is 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol?
The canonical SMILES for 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol is Cc1cn2cc(-c3ccc(O)c(O)c3O)nc2s1.
What is the InChIKey of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol?
The InChIKey is UAMAHXVQDCGFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-6-4-14-5-8(13-12(14)18-6)7-2-3-9(15)11(17)10(7)16/h2-5,15-17H,1H3.
What are the key properties of 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol?
4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol has a molecular weight of 262.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2,3-triol is sourced from PubChem (CID 72708597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).