1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

C20H17N5OS — CID 170341030

IUPAC1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCC(=O)N1CCn2c1nc(-c1cccc(C)n1)c2-c1cccc2ncsc12
InChIInChI=1S/C20H17N5OS/c1-12-5-3-7-15(22-12)17-18(14-6-4-8-16-19(14)27-11-21-16)25-10-9-24(13(2)26)20(25)23-17/h3-8,11H,9-10H2,1-2H3
InChIKeyCPFQOWPWUZBVIM-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.90
Rot. Bonds2

About 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (PubChem CID 170341030) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
PubChem CID170341030
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCC(=O)N1CCn2c1nc(-c1cccc(C)n1)c2-c1cccc2ncsc12
InChIInChI=1S/C20H17N5OS/c1-12-5-3-7-15(22-12)17-18(14-6-4-8-16-19(14)27-11-21-16)25-10-9-24(13(2)26)20(25)23-17/h3-8,11H,9-10H2,1-2H3
InChIKeyCPFQOWPWUZBVIM-UHFFFAOYSA-N
XLogP3.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The IUPAC name of 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (CID 170341030) is 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The canonical SMILES for 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is CC(=O)N1CCn2c1nc(-c1cccc(C)n1)c2-c1cccc2ncsc12.
What is the InChIKey of 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The InChIKey is CPFQOWPWUZBVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-5-3-7-15(22-12)17-18(14-6-4-8-16-19(14)27-11-21-16)25-10-9-24(13(2)26)20(25)23-17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone has a molecular weight of 375.46 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is sourced from PubChem (CID 170341030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).