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

C21H18Cl2FN3OS — CID 146063346

IUPACN-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
SMILESCc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)c(Cl)c4)csc3n2)cc1C.Cl
InChIInChI=1S/C21H17ClFN3OS.ClH/c1-12-3-4-14(7-13(12)2)19-10-26-16(11-28-21(26)25-19)9-20(27)24-15-5-6-18(23)17(22)8-15;/h3-8,10-11H,9H2,1-2H3,(H,24,27);1H
InChIKeyRGUXHHGMVSIMTG-UHFFFAOYSA-N
MW450.37 g/mol
LogP6.08
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride (PubChem CID 146063346) has the molecular formula C21H18Cl2FN3OS and a molecular weight of 450.37 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
PubChem CID146063346
Molecular FormulaC21H18Cl2FN3OS
Molecular Weight450.37 g/mol
Exact Mass449.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
SMILESCc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)c(Cl)c4)csc3n2)cc1C.Cl
InChIInChI=1S/C21H17ClFN3OS.ClH/c1-12-3-4-14(7-13(12)2)19-10-26-16(11-28-21(26)25-19)9-20(27)24-15-5-6-18(23)17(22)8-15;/h3-8,10-11H,9H2,1-2H3,(H,24,27);1H
InChIKeyRGUXHHGMVSIMTG-UHFFFAOYSA-N
XLogP6.08
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 146063351
N-(3,4-dimethoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063315
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53122753
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044362
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
N-(3-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063293
N-(2,4-dichlorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038733
N-cyclohexyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063321

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride (CID 146063346) is N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride is Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)c(Cl)c4)csc3n2)cc1C.Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride?
The InChIKey is RGUXHHGMVSIMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3OS.ClH/c1-12-3-4-14(7-13(12)2)19-10-26-16(11-28-21(26)25-19)9-20(27)24-15-5-6-18(23)17(22)8-15;/h3-8,10-11H,9H2,1-2H3,(H,24,27);1H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride?
N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride has a molecular weight of 450.37 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 146063346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).