6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide

C13H9ClN4O2S — CID 61041116

IUPAC6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide
SMILESO=C1CSc2ccc(NC(=O)c3ccc(Cl)nn3)cc2N1
InChIInChI=1S/C13H9ClN4O2S/c14-11-4-2-8(17-18-11)13(20)15-7-1-3-10-9(5-7)16-12(19)6-21-10/h1-5H,6H2,(H,15,20)(H,16,19)
InChIKeyLSVZVAZFKSRJRQ-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.43
Rot. Bonds2

About 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide

6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide (PubChem CID 61041116) has the molecular formula C13H9ClN4O2S and a molecular weight of 320.76 g/mol. Its IUPAC name is 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide
PubChem CID61041116
Molecular FormulaC13H9ClN4O2S
Molecular Weight320.76 g/mol
Exact Mass320.01
IUPAC Name6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide
SMILESO=C1CSc2ccc(NC(=O)c3ccc(Cl)nn3)cc2N1
InChIInChI=1S/C13H9ClN4O2S/c14-11-4-2-8(17-18-11)13(20)15-7-1-3-10-9(5-7)16-12(19)6-21-10/h1-5H,6H2,(H,15,20)(H,16,19)
InChIKeyLSVZVAZFKSRJRQ-UHFFFAOYSA-N
XLogP2.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
3-(2,6-dichlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,2-oxazole-4-carboxamide
CID 4200614
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
4-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 31722234
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
CID 35875201
2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 55122169

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide (CID 61041116) is 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide is O=C1CSc2ccc(NC(=O)c3ccc(Cl)nn3)cc2N1.
What is the InChIKey of 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide?
The InChIKey is LSVZVAZFKSRJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2S/c14-11-4-2-8(17-18-11)13(20)15-7-1-3-10-9(5-7)16-12(19)6-21-10/h1-5H,6H2,(H,15,20)(H,16,19).
What are the key properties of 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide?
6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide has a molecular weight of 320.76 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 61041116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).