2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C25H23N3O2S — CID 43038353

IUPAC2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESC=CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2c(s1)CCCC2
InChIInChI=1S/C25H23N3O2S/c1-2-15-27(25-26-19-11-5-8-14-22(19)31-25)23(29)16-28-20-12-6-3-9-17(20)24(30)18-10-4-7-13-21(18)28/h2-4,6-7,9-10,12-13H,1,5,8,11,14-16H2
InChIKeyJFZQAWRKRGHSAU-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.71
Rot. Bonds5

About 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43038353) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID43038353
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESC=CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2c(s1)CCCC2
InChIInChI=1S/C25H23N3O2S/c1-2-15-27(25-26-19-11-5-8-14-22(19)31-25)23(29)16-28-20-12-6-3-9-17(20)24(30)18-10-4-7-13-21(18)28/h2-4,6-7,9-10,12-13H,1,5,8,11,14-16H2
InChIKeyJFZQAWRKRGHSAU-UHFFFAOYSA-N
XLogP4.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 8501445
2-(2-chlorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 55478460
2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 52892901
3-(2-nitroanilino)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 24627468
4-cyano-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 8501451
2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 153250916
N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide
CID 126825670
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33077353
(E)-3-(4-cyanophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 9112095
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 46690274
7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 17448826

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 43038353) is 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is C=CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is JFZQAWRKRGHSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-2-15-27(25-26-19-11-5-8-14-22(19)31-25)23(29)16-28-20-12-6-3-9-17(20)24(30)18-10-4-7-13-21(18)28/h2-4,6-7,9-10,12-13H,1,5,8,11,14-16H2.
What are the key properties of 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43038353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).