N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide

C21H15N7OS — CID 122292016

IUPACN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C21H15N7OS/c29-21(14-2-7-17-18(12-14)30-13-22-17)25-16-5-3-15(4-6-16)24-19-8-9-20(27-26-19)28-11-1-10-23-28/h1-13H,(H,24,26)(H,25,29)
InChIKeyDPSFQLRMOMFYFM-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.27
Rot. Bonds5

About N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide

N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 122292016) has the molecular formula C21H15N7OS and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID122292016
Molecular FormulaC21H15N7OS
Molecular Weight413.47 g/mol
Exact Mass413.11
IUPAC NameN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C21H15N7OS/c29-21(14-2-7-17-18(12-14)30-13-22-17)25-16-5-3-15(4-6-16)24-19-8-9-20(27-26-19)28-11-1-10-23-28/h1-13H,(H,24,26)(H,25,29)
InChIKeyDPSFQLRMOMFYFM-UHFFFAOYSA-N
XLogP4.27
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.27
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]-1,3-benzothiazole-6-carboxamide
CID 122292452
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide
CID 56921644
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122290573
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122292130
3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122295849
3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122292068
1-(2,5-dimethylphenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 16839226
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 17481716

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide (CID 122292016) is N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc2ncsc2c1.
What is the InChIKey of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is DPSFQLRMOMFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7OS/c29-21(14-2-7-17-18(12-14)30-13-22-17)25-16-5-3-15(4-6-16)24-19-8-9-20(27-26-19)28-11-1-10-23-28/h1-13H,(H,24,26)(H,25,29).
What are the key properties of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide?
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 122292016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).