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

C22H21ClFN3OS — CID 146063351

IUPAC2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(F)c4)csc3n2)cc1C.Cl
InChIInChI=1S/C22H20FN3OS.ClH/c1-13-4-6-16(8-15(13)3)20-11-26-18(12-28-22(26)25-20)10-21(27)24-17-7-5-14(2)19(23)9-17;/h4-9,11-12H,10H2,1-3H3,(H,24,27);1H
InChIKeyDPJXIHPYFFQUMJ-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.73
Rot. Bonds4

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

2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride (PubChem CID 146063351) has the molecular formula C22H21ClFN3OS and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
PubChem CID146063351
Molecular FormulaC22H21ClFN3OS
Molecular Weight429.95 g/mol
Exact Mass429.11
IUPAC Name2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(F)c4)csc3n2)cc1C.Cl
InChIInChI=1S/C22H20FN3OS.ClH/c1-13-4-6-16(8-15(13)3)20-11-26-18(12-28-22(26)25-20)10-21(27)24-17-7-5-14(2)19(23)9-17;/h4-9,11-12H,10H2,1-3H3,(H,24,27);1H
InChIKeyDPJXIHPYFFQUMJ-UHFFFAOYSA-N
XLogP5.73
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063346
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
N-(3,4-dimethoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063315
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53122753
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063355
N-cyclohexyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063321
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 146063334
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53036861
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036884
N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554799

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride (CID 146063351) is 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride is Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(F)c4)csc3n2)cc1C.Cl.
What is the InChIKey of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride?
The InChIKey is DPJXIHPYFFQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3OS.ClH/c1-13-4-6-16(8-15(13)3)20-11-26-18(12-28-22(26)25-20)10-21(27)24-17-7-5-14(2)19(23)9-17;/h4-9,11-12H,10H2,1-3H3,(H,24,27);1H.
What are the key properties of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride?
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 146063351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).