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

C19H12Cl2N4O2S — CID 27668271

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N4O2S/c1-10-8-15(26)17(24-25(10)13-5-2-11(20)3-6-13)18(27)23-19-22-14-7-4-12(21)9-16(14)28-19/h2-9H,1H3,(H,22,23,27)
InChIKeyCZQNMLMBIZNUFG-UHFFFAOYSA-N
MW431.30 g/mol
LogP4.71
Rot. Bonds3

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

N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 27668271) has the molecular formula C19H12Cl2N4O2S and a molecular weight of 431.30 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID27668271
Molecular FormulaC19H12Cl2N4O2S
Molecular Weight431.30 g/mol
Exact Mass430.01
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N4O2S/c1-10-8-15(26)17(24-25(10)13-5-2-11(20)3-6-13)18(27)23-19-22-14-7-4-12(21)9-16(14)28-19/h2-9H,1H3,(H,22,23,27)
InChIKeyCZQNMLMBIZNUFG-UHFFFAOYSA-N
XLogP4.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 9192872
1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668529
6-methyl-4-oxo-1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pyridazine-3-carboxamide
CID 39055007
1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668806
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354962
dimethyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 27667598
1-(4-bromophenyl)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 108791547
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 27668271) is N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is CZQNMLMBIZNUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O2S/c1-10-8-15(26)17(24-25(10)13-5-2-11(20)3-6-13)18(27)23-19-22-14-7-4-12(21)9-16(14)28-19/h2-9H,1H3,(H,22,23,27).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 431.30 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27668271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).