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

C23H22FN3OS — CID 24554959

IUPACN-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C23H22FN3OS/c1-3-15-6-5-7-16(4-2)22(15)26-21(28)12-19-14-29-23-25-20(13-27(19)23)17-8-10-18(24)11-9-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,26,28)
InChIKeyLOOGJZVTGMEIMO-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.51
Rot. Bonds6

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

N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 24554959) has the molecular formula C23H22FN3OS and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID24554959
Molecular FormulaC23H22FN3OS
Molecular Weight407.51 g/mol
Exact Mass407.15
IUPAC NameN-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C23H22FN3OS/c1-3-15-6-5-7-16(4-2)22(15)26-21(28)12-19-14-29-23-25-20(13-27(19)23)17-8-10-18(24)11-9-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,26,28)
InChIKeyLOOGJZVTGMEIMO-UHFFFAOYSA-N
XLogP5.51
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575550
N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554799
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575552
N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509385
3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide
CID 24555542
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24555522
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
2-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-propylbenzamide
CID 24555467
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 24555263
N-(2-cyanophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038239

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 24554959) is N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCc1cccc(CC)c1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is LOOGJZVTGMEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3OS/c1-3-15-6-5-7-16(4-2)22(15)26-21(28)12-19-14-29-23-25-20(13-27(19)23)17-8-10-18(24)11-9-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,26,28).
What are the key properties of N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 24554959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).