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

C21H17FN4O2S — CID 24554799

IUPACN-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1
InChIInChI=1S/C21H17FN4O2S/c1-13(27)23-16-3-2-4-17(9-16)24-20(28)10-18-12-29-21-25-19(11-26(18)21)14-5-7-15(22)8-6-14/h2-9,11-12H,10H2,1H3,(H,23,27)(H,24,28)
InChIKeyYENJCTGDISLDIK-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.34
Rot. Bonds5

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

N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 24554799) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID24554799
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC NameN-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1
InChIInChI=1S/C21H17FN4O2S/c1-13(27)23-16-3-2-4-17(9-16)24-20(28)10-18-12-29-21-25-19(11-26(18)21)14-5-7-15(22)8-6-14/h2-9,11-12H,10H2,1H3,(H,23,27)(H,24,28)
InChIKeyYENJCTGDISLDIK-UHFFFAOYSA-N
XLogP4.34
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide
CID 24555542
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554959
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
N-(4-ethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575550
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575552
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939931
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53122639
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-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 24554799) is N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is YENJCTGDISLDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-13(27)23-16-3-2-4-17(9-16)24-20(28)10-18-12-29-21-25-19(11-26(18)21)14-5-7-15(22)8-6-14/h2-9,11-12H,10H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 408.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 24554799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).