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

C19H20N4O3S — CID 52906058

IUPAC2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C2CC2)C(=O)CS3)cc1
InChIInChI=1S/C19H20N4O3S/c1-2-12-3-5-13(6-4-12)21-16(24)10-22-19(26)18-15(9-20-22)27-11-17(25)23(18)14-7-8-14/h3-6,9,14H,2,7-8,10-11H2,1H3,(H,21,24)
InChIKeyVQOZPIGLRSAKKJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.05
Rot. Bonds5

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

2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 52906058) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide
PubChem CID52906058
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C2CC2)C(=O)CS3)cc1
InChIInChI=1S/C19H20N4O3S/c1-2-12-3-5-13(6-4-12)21-16(24)10-22-19(26)18-15(9-20-22)27-11-17(25)23(18)14-7-8-14/h3-6,9,14H,2,7-8,10-11H2,1H3,(H,21,24)
InChIKeyVQOZPIGLRSAKKJ-UHFFFAOYSA-N
XLogP2.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide (CID 52906058) is 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C2CC2)C(=O)CS3)cc1.
What is the InChIKey of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is VQOZPIGLRSAKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-12-3-5-13(6-4-12)21-16(24)10-22-19(26)18-15(9-20-22)27-11-17(25)23(18)14-7-8-14/h3-6,9,14H,2,7-8,10-11H2,1H3,(H,21,24).
What are the key properties of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide?
2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 52906058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).