1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

C23H20N4O2S — CID 16549936

IUPAC1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)n2)cc1
InChIInChI=1S/C23H20N4O2S/c1-2-16-8-10-18(11-9-16)20-15-30-23(24-20)25-22(29)19-12-13-21(28)27(26-19)14-17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,24,25,29)
InChIKeyZYNCCOOBDURKAT-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.23
Rot. Bonds6

About 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 16549936) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
PubChem CID16549936
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)n2)cc1
InChIInChI=1S/C23H20N4O2S/c1-2-16-8-10-18(11-9-16)20-15-30-23(24-20)25-22(29)19-12-13-21(28)27(26-19)14-17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,24,25,29)
InChIKeyZYNCCOOBDURKAT-UHFFFAOYSA-N
XLogP4.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide
CID 51923701
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 2482039
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 52636195
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4655727
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 4005296
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 112795383
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (CID 16549936) is 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is CCc1ccc(-c2csc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)n2)cc1.
What is the InChIKey of 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is ZYNCCOOBDURKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-2-16-8-10-18(11-9-16)20-15-30-23(24-20)25-22(29)19-12-13-21(28)27(26-19)14-17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,24,25,29).
What are the key properties of 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 16549936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).