N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C26H20N4O2S — CID 55883158

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1ccccc1N(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nc2ccccc2s1
InChIInChI=1S/C26H20N4O2S/c1-18-9-5-7-13-22(18)30(26-27-21-12-6-8-14-23(21)33-26)25(32)17-29-24(31)16-15-20(28-29)19-10-3-2-4-11-19/h2-16H,17H2,1H3
InChIKeyUYIMCLFQWTUERH-UHFFFAOYSA-N
MW452.54 g/mol
LogP5.19
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55883158) has the molecular formula C26H20N4O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID55883158
Molecular FormulaC26H20N4O2S
Molecular Weight452.54 g/mol
Exact Mass452.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1ccccc1N(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nc2ccccc2s1
InChIInChI=1S/C26H20N4O2S/c1-18-9-5-7-13-22(18)30(26-27-21-12-6-8-14-23(21)33-26)25(32)17-29-24(31)16-15-20(28-29)19-10-3-2-4-11-19/h2-16H,17H2,1H3
InChIKeyUYIMCLFQWTUERH-UHFFFAOYSA-N
XLogP5.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-methylphenyl)acetamide
CID 55333597
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
CID 55883933
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55462709
N-(1,3-benzothiazol-2-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)butanamide
CID 55333622
N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 8582567
N-ethyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 121051529
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 55333760
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55333382
2-(1,3-benzothiazol-2-ylmethyl)-6-phenylpyridazin-3-one
CID 47060976
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
CID 55333571

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55883158) is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is Cc1ccccc1N(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is UYIMCLFQWTUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2S/c1-18-9-5-7-13-22(18)30(26-27-21-12-6-8-14-23(21)33-26)25(32)17-29-24(31)16-15-20(28-29)19-10-3-2-4-11-19/h2-16H,17H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 452.54 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55883158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).