N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide

C13H11N5O2S — CID 104669149

IUPACN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide
SMILESCOc1cc(N)cc2sc(NC(=O)c3ccnnc3)nc12
InChIInChI=1S/C13H11N5O2S/c1-20-9-4-8(14)5-10-11(9)17-13(21-10)18-12(19)7-2-3-15-16-6-7/h2-6H,14H2,1H3,(H,17,18,19)
InChIKeyUXIWFMMPJVUIGX-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.93
Rot. Bonds3

About N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide

N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide (PubChem CID 104669149) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide
PubChem CID104669149
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide
SMILESCOc1cc(N)cc2sc(NC(=O)c3ccnnc3)nc12
InChIInChI=1S/C13H11N5O2S/c1-20-9-4-8(14)5-10-11(9)17-13(21-10)18-12(19)7-2-3-15-16-6-7/h2-6H,14H2,1H3,(H,17,18,19)
InChIKeyUXIWFMMPJVUIGX-UHFFFAOYSA-N
XLogP1.93
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(6-amino-4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 1160312
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 43551282
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
CID 115949180
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949179
methyl 4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 3108024
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080
5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
CID 104669440
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
3,4,5-triethoxy-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 4152355
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide
CID 60860065
3-bromo-N-[4-methoxy-6-(oxidoamino)-1,3-benzothiazol-2-yl]benzamide
CID 143038272

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide (CID 104669149) is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide is COc1cc(N)cc2sc(NC(=O)c3ccnnc3)nc12.
What is the InChIKey of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide?
The InChIKey is UXIWFMMPJVUIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-20-9-4-8(14)5-10-11(9)17-13(21-10)18-12(19)7-2-3-15-16-6-7/h2-6H,14H2,1H3,(H,17,18,19).
What are the key properties of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide?
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 104669149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).