ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate

C24H22N2O5S — CID 3993192

IUPACethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1cn2c(C=O)c(-c3ccc(OCc4ccccc4)c(OC)c3)nc2s1
InChIInChI=1S/C24H22N2O5S/c1-3-30-22(28)12-18-13-26-19(14-27)23(25-24(26)32-18)17-9-10-20(21(11-17)29-2)31-15-16-7-5-4-6-8-16/h4-11,13-14H,3,12,15H2,1-2H3
InChIKeyKIPRKRUZYYMIDE-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.57
Rot. Bonds9

About ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate

ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate (PubChem CID 3993192) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
PubChem CID3993192
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Nameethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1cn2c(C=O)c(-c3ccc(OCc4ccccc4)c(OC)c3)nc2s1
InChIInChI=1S/C24H22N2O5S/c1-3-30-22(28)12-18-13-26-19(14-27)23(25-24(26)32-18)17-9-10-20(21(11-17)29-2)31-15-16-7-5-4-6-8-16/h4-11,13-14H,3,12,15H2,1-2H3
InChIKeyKIPRKRUZYYMIDE-UHFFFAOYSA-N
XLogP4.57
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate with MolForge

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Related Compounds

ethyl 2-[6-(3-bromo-4-phenylmethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3642793
ethyl 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3966382
ethyl 2-[5-formyl-6-(2-methoxynaphthalen-1-yl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3414869
ethyl 2-[6-(5-fluoro-2-methoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3325263
ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3633850
ethyl 2-[6-[3,5-di(butan-2-yl)-4-methoxyphenyl]-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 4016869
ethyl 2-[5-formyl-6-(2-methoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 5190606
ethyl 2-[5-formyl-6-(2-methoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 4010343
ethyl 2-[6-(3,5-ditert-butyl-4-ethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 4265363
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
CID 1154159
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
ethyl 2-(5-formyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetate
CID 5030828

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate (CID 3993192) is ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate is CCOC(=O)Cc1cn2c(C=O)c(-c3ccc(OCc4ccccc4)c(OC)c3)nc2s1.
What is the InChIKey of ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The InChIKey is KIPRKRUZYYMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-3-30-22(28)12-18-13-26-19(14-27)23(25-24(26)32-18)17-9-10-20(21(11-17)29-2)31-15-16-7-5-4-6-8-16/h4-11,13-14H,3,12,15H2,1-2H3.
What are the key properties of ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate?
ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate has a molecular weight of 450.52 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate is sourced from PubChem (CID 3993192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).