N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C26H20N4O3S — CID 108803346

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)sc2c1
InChIInChI=1S/C26H20N4O3S/c1-30-25(32)22(24(31)28-26-27-19-14-13-18(33-2)15-20(19)34-26)21(16-9-5-3-6-10-16)23(29-30)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,27,28,31)
InChIKeyMXUHCSUJTOEXNH-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.98
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108803346) has the molecular formula C26H20N4O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108803346
Molecular FormulaC26H20N4O3S
Molecular Weight468.54 g/mol
Exact Mass468.13
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)sc2c1
InChIInChI=1S/C26H20N4O3S/c1-30-25(32)22(24(31)28-26-27-19-14-13-18(33-2)15-20(19)34-26)21(16-9-5-3-6-10-16)23(29-30)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,27,28,31)
InChIKeyMXUHCSUJTOEXNH-UHFFFAOYSA-N
XLogP4.98
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790705
methyl 4-methyl-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16876725
2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108739068
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35997703
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749873
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
3-(2-iodophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87394940
2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 71890744
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108803346) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is COc1ccc2nc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is MXUHCSUJTOEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3S/c1-30-25(32)22(24(31)28-26-27-19-14-13-18(33-2)15-20(19)34-26)21(16-9-5-3-6-10-16)23(29-30)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,27,28,31).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108803346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).