N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C24H15ClN4O2S — CID 108739115

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H15ClN4O2S/c25-16-11-12-17-18(13-16)32-24(26-17)27-22(30)20-19(14-7-3-1-4-8-14)21(28-29-23(20)31)15-9-5-2-6-10-15/h1-13H,(H,29,31)(H,26,27,30)
InChIKeyQJNNXDWPCNLGOW-UHFFFAOYSA-N
MW458.93 g/mol
LogP5.62
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 108739115) has the molecular formula C24H15ClN4O2S and a molecular weight of 458.93 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID108739115
Molecular FormulaC24H15ClN4O2S
Molecular Weight458.93 g/mol
Exact Mass458.06
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H15ClN4O2S/c25-16-11-12-17-18(13-16)32-24(26-17)27-22(30)20-19(14-7-3-1-4-8-14)21(28-29-23(20)31)15-9-5-2-6-10-15/h1-13H,(H,29,31)(H,26,27,30)
InChIKeyQJNNXDWPCNLGOW-UHFFFAOYSA-N
XLogP5.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.93
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108791006
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 16957838
N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790883
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832162
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016
N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 22576739
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108803588
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871077

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 108739115) is N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is QJNNXDWPCNLGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4O2S/c25-16-11-12-17-18(13-16)32-24(26-17)27-22(30)20-19(14-7-3-1-4-8-14)21(28-29-23(20)31)15-9-5-2-6-10-15/h1-13H,(H,29,31)(H,26,27,30).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 458.93 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108739115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).