4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C22H17F3N4O2S — CID 46803389

IUPAC4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C22H17F3N4O2S/c23-22(24,25)13-26-20(31)15-6-8-16(9-7-15)27-19(30)10-17-12-32-21-28-18(11-29(17)21)14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H,26,31)(H,27,30)
InChIKeyMFICOAPMAUSDDI-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.54
Rot. Bonds6

About 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 46803389) has the molecular formula C22H17F3N4O2S and a molecular weight of 458.47 g/mol. Its IUPAC name is 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID46803389
Molecular FormulaC22H17F3N4O2S
Molecular Weight458.47 g/mol
Exact Mass458.10
IUPAC Name4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C22H17F3N4O2S/c23-22(24,25)13-26-20(31)15-6-8-16(9-7-15)27-19(30)10-17-12-32-21-28-18(11-29(17)21)14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H,26,31)(H,27,30)
InChIKeyMFICOAPMAUSDDI-UHFFFAOYSA-N
XLogP4.54
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 43055397
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 78865083
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 39723703
N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121038566
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
4-[[2-(4-phenylphenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803416
4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide
CID 121038565
4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 7522346
4-[[2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 40509193
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55462408

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 46803389) is 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MFICOAPMAUSDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2S/c23-22(24,25)13-26-20(31)15-6-8-16(9-7-15)27-19(30)10-17-12-32-21-28-18(11-29(17)21)14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H,26,31)(H,27,30).
What are the key properties of 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 458.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 46803389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).