N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

C15H13ClN4O3S — CID 53136288

IUPACN-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCN1C(=O)CSc2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c21
InChIInChI=1S/C15H13ClN4O3S/c1-19-13(22)8-24-11-6-17-20(15(23)14(11)19)7-12(21)18-10-4-2-9(16)3-5-10/h2-6H,7-8H2,1H3,(H,18,21)
InChIKeyOLYOENYTSYSFGK-UHFFFAOYSA-N
MW364.81 g/mol
LogP1.60
Rot. Bonds3

About N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (PubChem CID 53136288) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
PubChem CID53136288
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC NameN-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCN1C(=O)CSc2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c21
InChIInChI=1S/C15H13ClN4O3S/c1-19-13(22)8-24-11-6-17-20(15(23)14(11)19)7-12(21)18-10-4-2-9(16)3-5-10/h2-6H,7-8H2,1H3,(H,18,21)
InChIKeyOLYOENYTSYSFGK-UHFFFAOYSA-N
XLogP1.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-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-(3-bromophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136292
2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53136311
2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide
CID 53136295
N-(4-bromophenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136393
N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136261
N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136377
2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 53136449
N-(3,4-difluorophenyl)-2-(3,5-dioxo-4-prop-2-enylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136569
N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136499
2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)-N-(2-methylphenyl)acetamide
CID 53136385
N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136446
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136523

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (CID 53136288) is N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is CN1C(=O)CSc2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c21.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The InChIKey is OLYOENYTSYSFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-19-13(22)8-24-11-6-17-20(15(23)14(11)19)7-12(21)18-10-4-2-9(16)3-5-10/h2-6H,7-8H2,1H3,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide has a molecular weight of 364.81 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is sourced from PubChem (CID 53136288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).