6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H8N2O3S — CID 11436870

IUPAC6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(O)ccc2O)nc2sccn12
InChIInChI=1S/C12H8N2O3S/c15-6-9-11(13-12-14(9)3-4-18-12)8-5-7(16)1-2-10(8)17/h1-6,16-17H
InChIKeyMTECPXPMODJYGS-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.29
Rot. Bonds2

About 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 11436870) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID11436870
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(O)ccc2O)nc2sccn12
InChIInChI=1S/C12H8N2O3S/c15-6-9-11(13-12-14(9)3-4-18-12)8-5-7(16)1-2-10(8)17/h1-6,16-17H
InChIKeyMTECPXPMODJYGS-UHFFFAOYSA-N
XLogP2.29
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 11436870) is 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2cc(O)ccc2O)nc2sccn12.
What is the InChIKey of 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is MTECPXPMODJYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c15-6-9-11(13-12-14(9)3-4-18-12)8-5-7(16)1-2-10(8)17/h1-6,16-17H.
What are the key properties of 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 260.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 11436870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).