N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide

C29H34N4O5S — CID 4172465

IUPACN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
SMILESCOc1ccc(OC)c(-c2cn3c(CCN(CCN4CCOCC4)C(=O)COc4ccccc4)csc3n2)c1
InChIInChI=1S/C29H34N4O5S/c1-35-24-8-9-27(36-2)25(18-24)26-19-33-22(21-39-29(33)30-26)10-11-32(13-12-31-14-16-37-17-15-31)28(34)20-38-23-6-4-3-5-7-23/h3-9,18-19,21H,10-17,20H2,1-2H3
InChIKeyJIGPSOXBUIBNMM-UHFFFAOYSA-N
MW550.68 g/mol
LogP3.86
Rot. Bonds12

About N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide

N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide (PubChem CID 4172465) has the molecular formula C29H34N4O5S and a molecular weight of 550.68 g/mol. Its IUPAC name is N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
PubChem CID4172465
Molecular FormulaC29H34N4O5S
Molecular Weight550.68 g/mol
Exact Mass550.22
IUPAC NameN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
SMILESCOc1ccc(OC)c(-c2cn3c(CCN(CCN4CCOCC4)C(=O)COc4ccccc4)csc3n2)c1
InChIInChI=1S/C29H34N4O5S/c1-35-24-8-9-27(36-2)25(18-24)26-19-33-22(21-39-29(33)30-26)10-11-32(13-12-31-14-16-37-17-15-31)28(34)20-38-23-6-4-3-5-7-23/h3-9,18-19,21H,10-17,20H2,1-2H3
InChIKeyJIGPSOXBUIBNMM-UHFFFAOYSA-N
XLogP3.86
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.68
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 4164817
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 5202722
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 4685024
1-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-naphthalen-1-yl-1-(oxolan-2-ylmethyl)urea
CID 3555212
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 4099600
1-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(4-methylsulfanylphenyl)-1-(oxolan-2-ylmethyl)urea
CID 4071692
3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4129559
N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide
CID 3762053
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997648
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1138644
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 78799320

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide?
The IUPAC name of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide (CID 4172465) is N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide?
The canonical SMILES for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide is COc1ccc(OC)c(-c2cn3c(CCN(CCN4CCOCC4)C(=O)COc4ccccc4)csc3n2)c1.
What is the InChIKey of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide?
The InChIKey is JIGPSOXBUIBNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O5S/c1-35-24-8-9-27(36-2)25(18-24)26-19-33-22(21-39-29(33)30-26)10-11-32(13-12-31-14-16-37-17-15-31)28(34)20-38-23-6-4-3-5-7-23/h3-9,18-19,21H,10-17,20H2,1-2H3.
What are the key properties of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide?
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide has a molecular weight of 550.68 g/mol, XLogP of 3.86, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide is sourced from PubChem (CID 4172465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).