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

C14H12N2O2S — CID 16780661

IUPAC6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(Oc1nc2sccn2c1C=O)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c1-10(11-5-3-2-4-6-11)18-13-12(9-17)16-7-8-19-14(16)15-13/h2-10H,1H3
InChIKeyVIDRAWSFJWOYIM-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.35
Rot. Bonds4

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

6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 16780661) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID16780661
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(Oc1nc2sccn2c1C=O)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c1-10(11-5-3-2-4-6-11)18-13-12(9-17)16-7-8-19-14(16)15-13/h2-10H,1H3
InChIKeyVIDRAWSFJWOYIM-UHFFFAOYSA-N
XLogP3.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43479767
6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43589938
(E)-3-[6-(4-methylpentan-2-yloxy)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780597
6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107169612
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
6-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 116792967
6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16779941
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896
7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70581292
6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 20982629
6-[methyl-[(2-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780524
6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 712406

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 16780661) is 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC(Oc1nc2sccn2c1C=O)c1ccccc1.
What is the InChIKey of 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is VIDRAWSFJWOYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-10(11-5-3-2-4-6-11)18-13-12(9-17)16-7-8-19-14(16)15-13/h2-10H,1H3.
What are the key properties of 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 272.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 16780661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).