6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C13H10N2O2S — CID 155635628

IUPAC6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(CO)cc2)nc2sccn12
InChIInChI=1S/C13H10N2O2S/c16-7-9-1-3-10(4-2-9)12-11(8-17)15-5-6-18-13(15)14-12/h1-6,8,16H,7H2
InChIKeyALNUCAFJDBFWAJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.37
Rot. Bonds3

About 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 155635628) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID155635628
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(CO)cc2)nc2sccn12
InChIInChI=1S/C13H10N2O2S/c16-7-9-1-3-10(4-2-9)12-11(8-17)15-5-6-18-13(15)14-12/h1-6,8,16H,7H2
InChIKeyALNUCAFJDBFWAJ-UHFFFAOYSA-N
XLogP2.37
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 712406
6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635630
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 11436870
6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3819350
6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 4552709
6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758996
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
CID 61229919
CID 89392602
CID 89392602

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 155635628) is 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2ccc(CO)cc2)nc2sccn12.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ALNUCAFJDBFWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-7-9-1-3-10(4-2-9)12-11(8-17)15-5-6-18-13(15)14-12/h1-6,8,16H,7H2.
What are the key properties of 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 258.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 155635628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).