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

C22H21N3O2S — CID 40509410

IUPACN-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1csc2nc(-c3ccc(C)cc3)cn12
InChIInChI=1S/C22H21N3O2S/c1-15-7-9-16(10-8-15)19-13-25-18(14-28-22(25)24-19)11-21(26)23-12-17-5-3-4-6-20(17)27-2/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)
InChIKeyXDBONDKPAGQOOL-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.24
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 40509410) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID40509410
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1csc2nc(-c3ccc(C)cc3)cn12
InChIInChI=1S/C22H21N3O2S/c1-15-7-9-16(10-8-15)19-13-25-18(14-28-22(25)24-19)11-21(26)23-12-17-5-3-4-6-20(17)27-2/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)
InChIKeyXDBONDKPAGQOOL-UHFFFAOYSA-N
XLogP4.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509412
N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53122608
N-[2-(4-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509404
N-[(2-chlorophenyl)methyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044370
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 53122716
N-[(2-methoxyphenyl)methyl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 7804926
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063355
N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509385
N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 146063334
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-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 40509410) is N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is COc1ccccc1CNC(=O)Cc1csc2nc(-c3ccc(C)cc3)cn12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is XDBONDKPAGQOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15-7-9-16(10-8-15)19-13-25-18(14-28-22(25)24-19)11-21(26)23-12-17-5-3-4-6-20(17)27-2/h3-10,13-14H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 391.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 40509410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).