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

C23H17N3O3S — CID 30039583

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)nc12
InChIInChI=1S/C23H17N3O3S/c1-29-18-11-6-12-19-21(18)25-23(30-19)24-20(27)13-26-16-9-4-2-7-14(16)22(28)15-8-3-5-10-17(15)26/h2-12H,13H2,1H3,(H,24,25,27)
InChIKeySEWRVECXOQEYFG-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.41
Rot. Bonds4

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

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 30039583) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID30039583
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)nc12
InChIInChI=1S/C23H17N3O3S/c1-29-18-11-6-12-19-21(18)25-23(30-19)24-20(27)13-26-16-9-4-2-7-14(16)22(28)15-8-3-5-10-17(15)26/h2-12H,13H2,1H3,(H,24,25,27)
InChIKeySEWRVECXOQEYFG-UHFFFAOYSA-N
XLogP4.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide (CID 30039583) is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide is COc1cccc2sc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is SEWRVECXOQEYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-29-18-11-6-12-19-21(18)25-23(30-19)24-20(27)13-26-16-9-4-2-7-14(16)22(28)15-8-3-5-10-17(15)26/h2-12H,13H2,1H3,(H,24,25,27).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 30039583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).