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

C24H24N4O2S — CID 121038811

IUPAC2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(-c2cn3c(CC(=O)Nc4ccc(N5CCOCC5)cc4)csc3n2)cc1
InChIInChI=1S/C24H24N4O2S/c1-17-2-4-18(5-3-17)22-15-28-21(16-31-24(28)26-22)14-23(29)25-19-6-8-20(9-7-19)27-10-12-30-13-11-27/h2-9,15-16H,10-14H2,1H3,(H,25,29)
InChIKeyMHOWUAHJSIHGBJ-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.39
Rot. Bonds5

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

2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 121038811) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID121038811
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(-c2cn3c(CC(=O)Nc4ccc(N5CCOCC5)cc4)csc3n2)cc1
InChIInChI=1S/C24H24N4O2S/c1-17-2-4-18(5-3-17)22-15-28-21(16-31-24(28)26-22)14-23(29)25-19-6-8-20(9-7-19)27-10-12-30-13-11-27/h2-9,15-16H,10-14H2,1H3,(H,25,29)
InChIKeyMHOWUAHJSIHGBJ-UHFFFAOYSA-N
XLogP4.39
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509385
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
N-(4-ethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575550
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 50839474
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147502
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 78865083
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
4-[[2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 40509193
4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 7522346
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 24555377

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 121038811) is 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(N5CCOCC5)cc4)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is MHOWUAHJSIHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-17-2-4-18(5-3-17)22-15-28-21(16-31-24(28)26-22)14-23(29)25-19-6-8-20(9-7-19)27-10-12-30-13-11-27/h2-9,15-16H,10-14H2,1H3,(H,25,29).
What are the key properties of 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 121038811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).