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

C20H15ClN4O2S — CID 9192872

IUPAC1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
SMILESCc1cccc2sc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)nc12
InChIInChI=1S/C20H15ClN4O2S/c1-11-4-3-5-16-17(11)22-20(28-16)23-19(27)18-15(26)10-12(2)25(24-18)14-8-6-13(21)7-9-14/h3-10H,1-2H3,(H,22,23,27)
InChIKeyRLNULJGJTMIARE-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.36
Rot. Bonds3

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

1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide (PubChem CID 9192872) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
PubChem CID9192872
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC Name1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
SMILESCc1cccc2sc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)nc12
InChIInChI=1S/C20H15ClN4O2S/c1-11-4-3-5-16-17(11)22-20(28-16)23-19(27)18-15(26)10-12(2)25(24-18)14-8-6-13(21)7-9-14/h3-10H,1-2H3,(H,22,23,27)
InChIKeyRLNULJGJTMIARE-UHFFFAOYSA-N
XLogP4.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668271
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668529
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46458084
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668806
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
dimethyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 27667598
1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 26926496
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35568218

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide (CID 9192872) is 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide is Cc1cccc2sc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)nc12.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide?
The InChIKey is RLNULJGJTMIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-11-4-3-5-16-17(11)22-20(28-16)23-19(27)18-15(26)10-12(2)25(24-18)14-8-6-13(21)7-9-14/h3-10H,1-2H3,(H,22,23,27).
What are the key properties of 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide has a molecular weight of 410.89 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 9192872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).