2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide

C23H23N3O2S — CID 121038352

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)N(CC)c4ccccc4)csc3n2)cc1
InChIInChI=1S/C23H23N3O2S/c1-3-25(18-8-6-5-7-9-18)22(27)14-19-16-29-23-24-21(15-26(19)23)17-10-12-20(13-11-17)28-4-2/h5-13,15-16H,3-4,14H2,1-2H3
InChIKeyNEUJOXJIFUQRJD-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.06
Rot. Bonds7

About 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide (PubChem CID 121038352) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide
PubChem CID121038352
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)N(CC)c4ccccc4)csc3n2)cc1
InChIInChI=1S/C23H23N3O2S/c1-3-25(18-8-6-5-7-9-18)22(27)14-19-16-29-23-24-21(15-26(19)23)17-10-12-20(13-11-17)28-4-2/h5-13,15-16H,3-4,14H2,1-2H3
InChIKeyNEUJOXJIFUQRJD-UHFFFAOYSA-N
XLogP5.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-phenylacetamide
CID 121038776
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
N-ethyl-6-(4-methoxyphenyl)-N-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270700
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044406
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121038438
N-[1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 42928562
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25389385
N-phenyl-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylacetamide
CID 52564427
N-[3-(diethylamino)propyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509217
N-[(2-chlorophenyl)methyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044370

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide (CID 121038352) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide is CCOc1ccc(-c2cn3c(CC(=O)N(CC)c4ccccc4)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is NEUJOXJIFUQRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-3-25(18-8-6-5-7-9-18)22(27)14-19-16-29-23-24-21(15-26(19)23)17-10-12-20(13-11-17)28-4-2/h5-13,15-16H,3-4,14H2,1-2H3.
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide has a molecular weight of 405.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 121038352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).