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

C21H18FN3O2S — CID 40509257

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4F)csc3n2)cc1
InChIInChI=1S/C21H18FN3O2S/c1-2-27-16-9-7-14(8-10-16)19-12-25-15(13-28-21(25)24-19)11-20(26)23-18-6-4-3-5-17(18)22/h3-10,12-13H,2,11H2,1H3,(H,23,26)
InChIKeyPHEMRXLMBJGELU-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.78
Rot. Bonds6

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 40509257) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide
PubChem CID40509257
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4F)csc3n2)cc1
InChIInChI=1S/C21H18FN3O2S/c1-2-27-16-9-7-14(8-10-16)19-12-25-15(13-28-21(25)24-19)11-20(26)23-18-6-4-3-5-17(18)22/h3-10,12-13H,2,11H2,1H3,(H,23,26)
InChIKeyPHEMRXLMBJGELU-UHFFFAOYSA-N
XLogP4.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038356
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 121038398
N-[1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 42928562
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25389385
N-[(2-chlorophenyl)methyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044370
N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044406
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
2-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-propylbenzamide
CID 24555467
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121038438
N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044362

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide (CID 40509257) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide is CCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4F)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is PHEMRXLMBJGELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-2-27-16-9-7-14(8-10-16)19-12-25-15(13-28-21(25)24-19)11-20(26)23-18-6-4-3-5-17(18)22/h3-10,12-13H,2,11H2,1H3,(H,23,26).
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 40509257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).