N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide

C22H19FN4O3S — CID 34264878

IUPACN-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOCCN(C(=O)c1nn(-c2ccccc2F)c(C)cc1=O)c1nc2ccccc2s1
InChIInChI=1S/C22H19FN4O3S/c1-14-13-18(28)20(25-27(14)17-9-5-3-7-15(17)23)21(29)26(11-12-30-2)22-24-16-8-4-6-10-19(16)31-22/h3-10,13H,11-12H2,1-2H3
InChIKeyKBLBTFRBMWPCQR-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.58
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 34264878) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID34264878
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOCCN(C(=O)c1nn(-c2ccccc2F)c(C)cc1=O)c1nc2ccccc2s1
InChIInChI=1S/C22H19FN4O3S/c1-14-13-18(28)20(25-27(14)17-9-5-3-7-15(17)23)21(29)26(11-12-30-2)22-24-16-8-4-6-10-19(16)31-22/h3-10,13H,11-12H2,1-2H3
InChIKeyKBLBTFRBMWPCQR-UHFFFAOYSA-N
XLogP3.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 110886119
N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide
CID 34264564
N-(1,3-benzothiazol-2-yl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 55371026
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
CID 110887162
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 51230221
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78846151
N-(1,3-benzothiazol-2-yl)-2-tert-butylsulfanyl-N-(2-methoxyethyl)acetamide
CID 86921353
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567700
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
N-[2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55871506
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 7294762

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 34264878) is N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide is COCCN(C(=O)c1nn(-c2ccccc2F)c(C)cc1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is KBLBTFRBMWPCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-14-13-18(28)20(25-27(14)17-9-5-3-7-15(17)23)21(29)26(11-12-30-2)22-24-16-8-4-6-10-19(16)31-22/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 34264878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).