N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C23H23N3O2S — CID 25389385

IUPACN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C23H23N3O2S/c1-3-28-20-11-9-17(10-12-20)16(2)24-22(27)13-19-15-29-23-25-21(14-26(19)23)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyHPCOEJKWESAPFN-INIZCTEOSA-N
MW405.52 g/mol
LogP4.88
Rot. Bonds7

About N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 25389385) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID25389385
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C23H23N3O2S/c1-3-28-20-11-9-17(10-12-20)16(2)24-22(27)13-19-15-29-23-25-21(14-26(19)23)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyHPCOEJKWESAPFN-INIZCTEOSA-N
XLogP4.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 42928562
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25352341
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-methylacetamide
CID 40509194
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-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121038438
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide
CID 40509257
N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 91822666
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 91640538
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121038447
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 N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 25389385) is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is CCOc1ccc([C@H](C)NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is HPCOEJKWESAPFN-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-3-28-20-11-9-17(10-12-20)16(2)24-22(27)13-19-15-29-23-25-21(14-26(19)23)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 405.52 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 25389385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).