N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C23H23N3O2S — CID 53122608

IUPACN-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCOc1ccc(-c2cn3c(CC(=O)NCc4cc(C)ccc4C)csc3n2)cc1
InChIInChI=1S/C23H23N3O2S/c1-15-4-5-16(2)18(10-15)12-24-22(27)11-19-14-29-23-25-21(13-26(19)23)17-6-8-20(28-3)9-7-17/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)
InChIKeyNVPAPIOFQYEHKK-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.55
Rot. Bonds6

About N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 53122608) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID53122608
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCOc1ccc(-c2cn3c(CC(=O)NCc4cc(C)ccc4C)csc3n2)cc1
InChIInChI=1S/C23H23N3O2S/c1-15-4-5-16(2)18(10-15)12-24-22(27)11-19-14-29-23-25-21(13-26(19)23)17-6-8-20(28-3)9-7-17/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)
InChIKeyNVPAPIOFQYEHKK-UHFFFAOYSA-N
XLogP4.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 121038638
N-[2-(4-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509404
N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509410
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53036861
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509412
N-[3-(diethylamino)propyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509101
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952
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-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063355
N-(3,4-dimethoxyphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044188

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 53122608) is N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is COc1ccc(-c2cn3c(CC(=O)NCc4cc(C)ccc4C)csc3n2)cc1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is NVPAPIOFQYEHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-15-4-5-16(2)18(10-15)12-24-22(27)11-19-14-29-23-25-21(13-26(19)23)17-6-8-20(28-3)9-7-17/h4-10,13-14H,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 53122608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).