N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide

C24H19N3O2S — CID 16605874

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2s1
InChIInChI=1S/C24H19N3O2S/c1-2-26(24-25-18-11-5-8-14-21(18)30-24)22(28)15-27-19-12-6-3-9-16(19)23(29)17-10-4-7-13-20(17)27/h3-14H,2,15H2,1H3
InChIKeyJUSLQBLBMZNYRJ-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.82
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 16605874) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
PubChem CID16605874
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2s1
InChIInChI=1S/C24H19N3O2S/c1-2-26(24-25-18-11-5-8-14-21(18)30-24)22(28)15-27-19-12-6-3-9-16(19)23(29)17-10-4-7-13-20(17)27/h3-14H,2,15H2,1H3
InChIKeyJUSLQBLBMZNYRJ-UHFFFAOYSA-N
XLogP4.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 16583753
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 30135418
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N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570197
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide (CID 16605874) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide is CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is JUSLQBLBMZNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-2-26(24-25-18-11-5-8-14-21(18)30-24)22(28)15-27-19-12-6-3-9-16(19)23(29)17-10-4-7-13-20(17)27/h3-14H,2,15H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 413.50 g/mol, XLogP of 4.82, 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-ethyl-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 16605874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).