N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

C23H17FN4OS2 — CID 51603172

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cs2)cc1
InChIInChI=1S/C23H17FN4OS2/c1-14-2-4-16(5-3-14)22-25-18(13-31-22)12-19(29)26-21-20(15-6-8-17(24)9-7-15)27-23-28(21)10-11-30-23/h2-11,13H,12H2,1H3,(H,26,29)
InChIKeyCIKAGPJONFWTKR-UHFFFAOYSA-N
MW448.55 g/mol
LogP5.82
Rot. Bonds5

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 51603172) has the molecular formula C23H17FN4OS2 and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID51603172
Molecular FormulaC23H17FN4OS2
Molecular Weight448.55 g/mol
Exact Mass448.08
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cs2)cc1
InChIInChI=1S/C23H17FN4OS2/c1-14-2-4-16(5-3-14)22-25-18(13-31-22)12-19(29)26-21-20(15-6-8-17(24)9-7-15)27-23-28(21)10-11-30-23/h2-11,13H,12H2,1H3,(H,26,29)
InChIKeyCIKAGPJONFWTKR-UHFFFAOYSA-N
XLogP5.82
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 43069168
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
CID 46511311
2-(2-chloro-6-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 27992833
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 86890163
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 16559351
2-(3-fluorophenyl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
CID 25390779
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 56576578
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 47008613
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 8882089
3-ethyl-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51199261
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16557212

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 51603172) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cs2)cc1.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is CIKAGPJONFWTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4OS2/c1-14-2-4-16(5-3-14)22-25-18(13-31-22)12-19(29)26-21-20(15-6-8-17(24)9-7-15)27-23-28(21)10-11-30-23/h2-11,13H,12H2,1H3,(H,26,29).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 448.55 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 51603172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).