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

C22H21N3OS — CID 40509385

IUPACN-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCc1ccc(-c2cn3c(CC(=O)Nc4c(C)cccc4C)csc3n2)cc1
InChIInChI=1S/C22H21N3OS/c1-14-7-9-17(10-8-14)19-12-25-18(13-27-22(25)23-19)11-20(26)24-21-15(2)5-4-6-16(21)3/h4-10,12-13H,11H2,1-3H3,(H,24,26)
InChIKeyVTQAMRCEIPDQSI-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.17
Rot. Bonds4

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

N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 40509385) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID40509385
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC NameN-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCc1ccc(-c2cn3c(CC(=O)Nc4c(C)cccc4C)csc3n2)cc1
InChIInChI=1S/C22H21N3OS/c1-14-7-9-17(10-8-14)19-12-25-18(13-27-22(25)23-19)11-20(26)24-21-15(2)5-4-6-16(21)3/h4-10,12-13H,11H2,1-3H3,(H,24,26)
InChIKeyVTQAMRCEIPDQSI-UHFFFAOYSA-N
XLogP5.17
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554959
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575552
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
N-(2-methyl-5-nitrophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038785
N-(2,4-dichlorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038733
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121038811
N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554799
N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509410
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
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-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 40509385) is N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is Cc1ccc(-c2cn3c(CC(=O)Nc4c(C)cccc4C)csc3n2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is VTQAMRCEIPDQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-14-7-9-17(10-8-14)19-12-25-18(13-27-22(25)23-19)11-20(26)24-21-15(2)5-4-6-16(21)3/h4-10,12-13H,11H2,1-3H3,(H,24,26).
What are the key properties of N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 40509385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).