2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride

C20H16BrClFN3OS — CID 146063378

IUPAC2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCc1ccc(F)cc1
InChIInChI=1S/C20H15BrFN3OS.ClH/c21-15-3-1-2-14(8-15)18-11-25-17(12-27-20(25)24-18)9-19(26)23-10-13-4-6-16(22)7-5-13;/h1-8,11-12H,9-10H2,(H,23,26);1H
InChIKeyHUIZSDRZSYXYAG-UHFFFAOYSA-N
MW480.79 g/mol
LogP5.25
Rot. Bonds5

About 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride

2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride (PubChem CID 146063378) has the molecular formula C20H16BrClFN3OS and a molecular weight of 480.79 g/mol. Its IUPAC name is 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
PubChem CID146063378
Molecular FormulaC20H16BrClFN3OS
Molecular Weight480.79 g/mol
Exact Mass478.99
IUPAC Name2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCc1ccc(F)cc1
InChIInChI=1S/C20H15BrFN3OS.ClH/c21-15-3-1-2-14(8-15)18-11-25-17(12-27-20(25)24-18)9-19(26)23-10-13-4-6-16(22)7-5-13;/h1-8,11-12H,9-10H2,(H,23,26);1H
InChIKeyHUIZSDRZSYXYAG-UHFFFAOYSA-N
XLogP5.25
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.79
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036901
2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53036840
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7522319
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063355
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53036861
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036884
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 17485366
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522419
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
CID 121038538
3-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-methylbenzamide
CID 24555542

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride (CID 146063378) is 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride is Cl.O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCc1ccc(F)cc1.
What is the InChIKey of 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is HUIZSDRZSYXYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN3OS.ClH/c21-15-3-1-2-14(8-15)18-11-25-17(12-27-20(25)24-18)9-19(26)23-10-13-4-6-16(22)7-5-13;/h1-8,11-12H,9-10H2,(H,23,26);1H.
What are the key properties of 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 480.79 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 146063378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).