ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate

C20H22N2O3S — CID 3633850

IUPACethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1cn2c(C=O)c(-c3ccc(C(C)(C)C)cc3)nc2s1
InChIInChI=1S/C20H22N2O3S/c1-5-25-17(24)10-15-11-22-16(12-23)18(21-19(22)26-15)13-6-8-14(9-7-13)20(2,3)4/h6-9,11-12H,5,10H2,1-4H3
InChIKeyUTIRDRQVHSHRFH-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.28
Rot. Bonds5

About ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate

ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate (PubChem CID 3633850) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
PubChem CID3633850
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Nameethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1cn2c(C=O)c(-c3ccc(C(C)(C)C)cc3)nc2s1
InChIInChI=1S/C20H22N2O3S/c1-5-25-17(24)10-15-11-22-16(12-23)18(21-19(22)26-15)13-6-8-14(9-7-13)20(2,3)4/h6-9,11-12H,5,10H2,1-4H3
InChIKeyUTIRDRQVHSHRFH-UHFFFAOYSA-N
XLogP4.28
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[6-(3,5-ditert-butyl-4-ethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 4265363
ethyl 2-[6-(4-chloro-3-methylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 5190515
ethyl 2-[6-(5-tert-butyl-2,3-diethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 4009636
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-[6-(3-bromo-4-phenylmethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3642793
ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3993192
ethyl 2-(5-formyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetate
CID 5030828
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-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-[5-formyl-6-(2-methoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 4010343
ethyl 2-[6-(5-fluoro-2-phenylmethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3966382

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate (CID 3633850) is ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate is CCOC(=O)Cc1cn2c(C=O)c(-c3ccc(C(C)(C)C)cc3)nc2s1.
What is the InChIKey of ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The InChIKey is UTIRDRQVHSHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-5-25-17(24)10-15-11-22-16(12-23)18(21-19(22)26-15)13-6-8-14(9-7-13)20(2,3)4/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate?
ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate has a molecular weight of 370.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate is sourced from PubChem (CID 3633850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).