N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C28H24N4O3S — CID 24505525

IUPACN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)nc12
InChIInChI=1S/C28H24N4O3S/c1-20-9-8-14-24-26(20)29-28(36-24)31(19-21-10-4-2-5-11-21)27(34)23-15-16-25(33)32(30-23)17-18-35-22-12-6-3-7-13-22/h2-16H,17-19H2,1H3
InChIKeyUFQUIWDYDZWIDO-UHFFFAOYSA-N
MW496.59 g/mol
LogP5.09
Rot. Bonds8

About N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 24505525) has the molecular formula C28H24N4O3S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID24505525
Molecular FormulaC28H24N4O3S
Molecular Weight496.59 g/mol
Exact Mass496.16
IUPAC NameN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)nc12
InChIInChI=1S/C28H24N4O3S/c1-20-9-8-14-24-26(20)29-28(36-24)31(19-21-10-4-2-5-11-21)27(34)23-15-16-25(33)32(30-23)17-18-35-22-12-6-3-7-13-22/h2-16H,17-19H2,1H3
InChIKeyUFQUIWDYDZWIDO-UHFFFAOYSA-N
XLogP5.09
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide 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-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 8670797
N-benzyl-4-(4-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 2576297
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615764
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41109630
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631
N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7511487
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109583
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
2-[[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 18088502
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 29388167
N-benzyl-3-butoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989919

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 24505525) is N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)nc12.
What is the InChIKey of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is UFQUIWDYDZWIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3S/c1-20-9-8-14-24-26(20)29-28(36-24)31(19-21-10-4-2-5-11-21)27(34)23-15-16-25(33)32(30-23)17-18-35-22-12-6-3-7-13-22/h2-16H,17-19H2,1H3.
What are the key properties of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 24505525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).