N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide

C18H14N4O2S — CID 155516456

IUPACN-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3ccnnc32)cc1
InChIInChI=1S/C18H14N4O2S/c23-18(21-24)13-7-5-12(6-8-13)11-22-14-3-1-2-4-15(14)25-16-9-10-19-20-17(16)22/h1-10,24H,11H2,(H,21,23)
InChIKeyKTOVMSXHCDOYLZ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.40
Rot. Bonds3

About N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide

N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide (PubChem CID 155516456) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide
PubChem CID155516456
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3ccnnc32)cc1
InChIInChI=1S/C18H14N4O2S/c23-18(21-24)13-7-5-12(6-8-13)11-22-14-3-1-2-4-15(14)25-16-9-10-19-20-17(16)22/h1-10,24H,11H2,(H,21,23)
InChIKeyKTOVMSXHCDOYLZ-UHFFFAOYSA-N
XLogP3.40
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10-{[4-(Hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium
CID 134611695
4-[(3-chloropyridazino[4,3-b][1,4]benzothiazin-10-yl)methyl]-N-hydroxybenzamide
CID 155561163

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide?
The IUPAC name of N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide (CID 155516456) is N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide is O=C(NO)c1ccc(CN2c3ccccc3Sc3ccnnc32)cc1.
What is the InChIKey of N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide?
The InChIKey is KTOVMSXHCDOYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-18(21-24)13-7-5-12(6-8-13)11-22-14-3-1-2-4-15(14)25-16-9-10-19-20-17(16)22/h1-10,24H,11H2,(H,21,23).
What are the key properties of N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide?
N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide has a molecular weight of 350.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(pyridazino[4,3-b][1,4]benzothiazin-10-ylmethyl)benzamide is sourced from PubChem (CID 155516456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).