N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C23H20N4O2S — CID 166333056

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCCc1nc(CNC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cs1
InChIInChI=1S/C23H20N4O2S/c1-2-18-25-17(14-30-18)13-24-22(28)20-19(15-9-5-3-6-10-15)21(26-27-23(20)29)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,24,28)(H,27,29)
InChIKeyPURNUDMWYIZCNF-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.05
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 166333056) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID166333056
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCCc1nc(CNC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cs1
InChIInChI=1S/C23H20N4O2S/c1-2-18-25-17(14-30-18)13-24-22(28)20-19(15-9-5-3-6-10-15)21(26-27-23(20)29)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,24,28)(H,27,29)
InChIKeyPURNUDMWYIZCNF-UHFFFAOYSA-N
XLogP4.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide with MolForge

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737663
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333100
3-[[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]methyl]benzoic acid
CID 108745418
(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99955784
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333099
6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 119999255
N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333116
N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790907
N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333039
N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790883

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 166333056) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is CCc1nc(CNC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is PURNUDMWYIZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-2-18-25-17(14-30-18)13-24-22(28)20-19(15-9-5-3-6-10-15)21(26-27-23(20)29)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,24,28)(H,27,29).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 166333056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).