N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C20H18N4O2S — CID 25491867

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)Cn3nc(C)c4ccccc4c3=O)sc2c1
InChIInChI=1S/C20H18N4O2S/c1-3-13-8-9-16-17(10-13)27-20(21-16)22-18(25)11-24-19(26)15-7-5-4-6-14(15)12(2)23-24/h4-10H,3,11H2,1-2H3,(H,21,22,25)
InChIKeyXBTQUXXSUPQVPS-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.52
Rot. Bonds4

About N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 25491867) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID25491867
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)Cn3nc(C)c4ccccc4c3=O)sc2c1
InChIInChI=1S/C20H18N4O2S/c1-3-13-8-9-16-17(10-13)27-20(21-16)22-18(25)11-24-19(26)15-7-5-4-6-14(15)12(2)23-24/h4-10H,3,11H2,1-2H3,(H,21,22,25)
InChIKeyXBTQUXXSUPQVPS-UHFFFAOYSA-N
XLogP3.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25470450
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 35569050
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7663227
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
ethyl 5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 55624959
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 25493110
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5302441
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 27844618

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 25491867) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CCc1ccc2nc(NC(=O)Cn3nc(C)c4ccccc4c3=O)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is XBTQUXXSUPQVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-13-8-9-16-17(10-13)27-20(21-16)22-18(25)11-24-19(26)15-7-5-4-6-14(15)12(2)23-24/h4-10H,3,11H2,1-2H3,(H,21,22,25).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 378.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 25491867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).