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

C19H13FN2O2S — CID 3829026

IUPAC6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(F)ccc2OCc2ccccc2)nc2sccn12
InChIInChI=1S/C19H13FN2O2S/c20-14-6-7-17(24-12-13-4-2-1-3-5-13)15(10-14)18-16(11-23)22-8-9-25-19(22)21-18/h1-11H,12H2
InChIKeyIQBCHUBHDNFWAG-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.59
Rot. Bonds5

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

6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 3829026) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID3829026
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(F)ccc2OCc2ccccc2)nc2sccn12
InChIInChI=1S/C19H13FN2O2S/c20-14-6-7-17(24-12-13-4-2-1-3-5-13)15(10-14)18-16(11-23)22-8-9-25-19(22)21-18/h1-11H,12H2
InChIKeyIQBCHUBHDNFWAG-UHFFFAOYSA-N
XLogP4.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.59
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-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
ethyl 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3966382
6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 11436870
ethyl 2-(5-fluoro-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3828987
6-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
6-[(4-chlorophenyl)methoxy]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780516
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 54431299
6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635628
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3819350
6-(2,5-difluorophenyl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82367774

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 3829026) is 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2cc(F)ccc2OCc2ccccc2)nc2sccn12.
What is the InChIKey of 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is IQBCHUBHDNFWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-14-6-7-17(24-12-13-4-2-1-3-5-13)15(10-14)18-16(11-23)22-8-9-25-19(22)21-18/h1-11H,12H2.
What are the key properties of 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 352.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 3829026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).