N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide

C26H20N4O3S — CID 52572283

IUPACN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(=O)n(-c4ccccc4)n3)sc2c1
InChIInChI=1S/C26H20N4O3S/c1-33-20-12-13-21-23(16-20)34-26(27-21)29(17-18-8-4-2-5-9-18)25(32)22-14-15-24(31)30(28-22)19-10-6-3-7-11-19/h2-16H,17H2,1H3
InChIKeyFONHIQZNGHZIPK-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.70
Rot. Bonds6

About N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 52572283) has the molecular formula C26H20N4O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID52572283
Molecular FormulaC26H20N4O3S
Molecular Weight468.54 g/mol
Exact Mass468.13
IUPAC NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(=O)n(-c4ccccc4)n3)sc2c1
InChIInChI=1S/C26H20N4O3S/c1-33-20-12-13-21-23(16-20)34-26(27-21)29(17-18-8-4-2-5-9-18)25(32)22-14-15-24(31)30(28-22)19-10-6-3-7-11-19/h2-16H,17H2,1H3
InChIKeyFONHIQZNGHZIPK-UHFFFAOYSA-N
XLogP4.70
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 29388167
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110227
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615801
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615805
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 134016037
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110261
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55380665
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41110198

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 52572283) is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide is COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(=O)n(-c4ccccc4)n3)sc2c1.
What is the InChIKey of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is FONHIQZNGHZIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3S/c1-33-20-12-13-21-23(16-20)34-26(27-21)29(17-18-8-4-2-5-9-18)25(32)22-14-15-24(31)30(28-22)19-10-6-3-7-11-19/h2-16H,17H2,1H3.
What are the key properties of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 52572283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).