N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide

C23H19N7OS — CID 122292452

IUPACN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccc5ncsc5c4)cc3)nn2)n1
InChIInChI=1S/C23H19N7OS/c1-14-11-15(2)30(29-14)22-10-9-21(27-28-22)25-17-4-6-18(7-5-17)26-23(31)16-3-8-19-20(12-16)32-13-24-19/h3-13H,1-2H3,(H,25,27)(H,26,31)
InChIKeyXRUOEBHMPDOLNW-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.88
Rot. Bonds5

About N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide

N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 122292452) has the molecular formula C23H19N7OS and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID122292452
Molecular FormulaC23H19N7OS
Molecular Weight441.52 g/mol
Exact Mass441.14
IUPAC NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccc5ncsc5c4)cc3)nn2)n1
InChIInChI=1S/C23H19N7OS/c1-14-11-15(2)30(29-14)22-10-9-21(27-28-22)25-17-4-6-18(7-5-17)26-23(31)16-3-8-19-20(12-16)32-13-24-19/h3-13H,1-2H3,(H,25,27)(H,26,31)
InChIKeyXRUOEBHMPDOLNW-UHFFFAOYSA-N
XLogP4.88
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122292441
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122292016
3-(dimethylamino)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzamide
CID 122292500
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122292555
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide
CID 122292561
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122295849
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylacetamide
CID 122292562
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 122292474
N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1,3-benzothiazole-6-carboxamide
CID 122323775
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122292449

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide (CID 122292452) is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide is Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccc5ncsc5c4)cc3)nn2)n1.
What is the InChIKey of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is XRUOEBHMPDOLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS/c1-14-11-15(2)30(29-14)22-10-9-21(27-28-22)25-17-4-6-18(7-5-17)26-23(31)16-3-8-19-20(12-16)32-13-24-19/h3-13H,1-2H3,(H,25,27)(H,26,31).
What are the key properties of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide?
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 122292452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).