N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C22H17N3O4S — CID 39724030

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1csc3nc(-c4ccccc4)cn13)OCO2
InChIInChI=1S/C22H17N3O4S/c1-13(26)16-8-19-20(29-12-28-19)9-17(16)23-21(27)7-15-11-30-22-24-18(10-25(15)22)14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,23,27)
InChIKeyZJXKHGMYIMINGT-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.18
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 39724030) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID39724030
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1csc3nc(-c4ccccc4)cn13)OCO2
InChIInChI=1S/C22H17N3O4S/c1-13(26)16-8-19-20(29-12-28-19)9-17(16)23-21(27)7-15-11-30-22-24-18(10-25(15)22)14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,23,27)
InChIKeyZJXKHGMYIMINGT-UHFFFAOYSA-N
XLogP4.18
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 34277605
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522419
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55727246
N-(5-acetamido-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147870
N-(2-methyl-5-methylsulfonylphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 34194468
N-(5-chloro-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522499
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147502
N-(8-methylquinolin-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 38281701
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
CID 112827742
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 18189734
N-(5-cyano-2-methyl-4-nitrophenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 154758998

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 39724030) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is CC(=O)c1cc2c(cc1NC(=O)Cc1csc3nc(-c4ccccc4)cn13)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is ZJXKHGMYIMINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c1-13(26)16-8-19-20(29-12-28-19)9-17(16)23-21(27)7-15-11-30-22-24-18(10-25(15)22)14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,23,27).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 419.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 39724030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).