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

C19H20N4O4S — CID 52906056

IUPAC2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C2CC2)C(=O)CS3)cc1
InChIInChI=1S/C19H20N4O4S/c1-2-27-14-7-3-12(4-8-14)21-16(24)10-22-19(26)18-15(9-20-22)28-11-17(25)23(18)13-5-6-13/h3-4,7-9,13H,2,5-6,10-11H2,1H3,(H,21,24)
InChIKeyANJQQPLOODJENC-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.88
Rot. Bonds6

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

2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 52906056) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID52906056
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C2CC2)C(=O)CS3)cc1
InChIInChI=1S/C19H20N4O4S/c1-2-27-14-7-3-12(4-8-14)21-16(24)10-22-19(26)18-15(9-20-22)28-11-17(25)23(18)13-5-6-13/h3-4,7-9,13H,2,5-6,10-11H2,1H3,(H,21,24)
InChIKeyANJQQPLOODJENC-UHFFFAOYSA-N
XLogP1.88
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-ethoxyphenyl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide (CID 52906056) is 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(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-ethoxyphenyl)acetamide?
The InChIKey is ANJQQPLOODJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-2-27-14-7-3-12(4-8-14)21-16(24)10-22-19(26)18-15(9-20-22)28-11-17(25)23(18)13-5-6-13/h3-4,7-9,13H,2,5-6,10-11H2,1H3,(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-ethoxyphenyl)acetamide?
2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 52906056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).