N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide

C29H20FN3O2S — CID 16583753

IUPACN-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1ccc(N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2nc3ccccc3s2)cc1F
InChIInChI=1S/C29H20FN3O2S/c1-18-14-15-19(16-22(18)30)33(29-31-23-10-4-7-13-26(23)36-29)27(34)17-32-24-11-5-2-8-20(24)28(35)21-9-3-6-12-25(21)32/h2-16H,17H2,1H3
InChIKeyKZZMKYXJYULGQZ-UHFFFAOYSA-N
MW493.56 g/mol
LogP6.58
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 16583753) has the molecular formula C29H20FN3O2S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID16583753
Molecular FormulaC29H20FN3O2S
Molecular Weight493.56 g/mol
Exact Mass493.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1ccc(N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2nc3ccccc3s2)cc1F
InChIInChI=1S/C29H20FN3O2S/c1-18-14-15-19(16-22(18)30)33(29-31-23-10-4-7-13-26(23)36-29)27(34)17-32-24-11-5-2-8-20(24)28(35)21-9-3-6-12-25(21)32/h2-16H,17H2,1H3
InChIKeyKZZMKYXJYULGQZ-UHFFFAOYSA-N
XLogP6.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-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

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide
CID 24509156
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 18283172
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16560119
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16560118
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16600650
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 30135418
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 2550239
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
CID 2573049
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18089616
N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 24505875
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18141671

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide (CID 16583753) is N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide is Cc1ccc(N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2nc3ccccc3s2)cc1F.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is KZZMKYXJYULGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN3O2S/c1-18-14-15-19(16-22(18)30)33(29-31-23-10-4-7-13-26(23)36-29)27(34)17-32-24-11-5-2-8-20(24)28(35)21-9-3-6-12-25(21)32/h2-16H,17H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 493.56 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 16583753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).