2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide

C23H22ClN3OS — CID 121038517

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C23H22ClN3OS/c1-16(7-8-17-5-3-2-4-6-17)25-22(28)13-20-15-29-23-26-21(14-27(20)23)18-9-11-19(24)12-10-18/h2-6,9-12,14-16H,7-8,13H2,1H3,(H,25,28)
InChIKeyCUOGZUCUEGVDKS-UHFFFAOYSA-N
MW423.97 g/mol
LogP5.40
Rot. Bonds7

About 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 121038517) has the molecular formula C23H22ClN3OS and a molecular weight of 423.97 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID121038517
Molecular FormulaC23H22ClN3OS
Molecular Weight423.97 g/mol
Exact Mass423.12
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C23H22ClN3OS/c1-16(7-8-17-5-3-2-4-6-17)25-22(28)13-20-15-29-23-26-21(14-27(20)23)18-9-11-19(24)12-10-18/h2-6,9-12,14-16H,7-8,13H2,1H3,(H,25,28)
InChIKeyCUOGZUCUEGVDKS-UHFFFAOYSA-N
XLogP5.40
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.97
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25352341
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 7522219
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 91640538
N-(1-hydroxy-3-methylbutan-2-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 91822666
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl-dimethylazanium
CID 7522236
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 146063334

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 121038517) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is CUOGZUCUEGVDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3OS/c1-16(7-8-17-5-3-2-4-6-17)25-22(28)13-20-15-29-23-26-21(14-27(20)23)18-9-11-19(24)12-10-18/h2-6,9-12,14-16H,7-8,13H2,1H3,(H,25,28).
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 423.97 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 121038517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).