N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

C21H20N6O2S — CID 71791786

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccc(-n4ccnc4C)nn3)cs2)cc1
InChIInChI=1S/C21H20N6O2S/c1-14-22-11-12-27(14)19-8-7-18(25-26-19)20(28)23-10-9-16-13-30-21(24-16)15-3-5-17(29-2)6-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,23,28)
InChIKeyZBXOPVXDKDZXNT-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.08
Rot. Bonds7

About N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71791786) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
PubChem CID71791786
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccc(-n4ccnc4C)nn3)cs2)cc1
InChIInChI=1S/C21H20N6O2S/c1-14-22-11-12-27(14)19-8-7-18(25-26-19)20(28)23-10-9-16-13-30-21(24-16)15-3-5-17(29-2)6-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,23,28)
InChIKeyZBXOPVXDKDZXNT-UHFFFAOYSA-N
XLogP3.08
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (CID 71791786) is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3ccc(-n4ccnc4C)nn3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is ZBXOPVXDKDZXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-14-22-11-12-27(14)19-8-7-18(25-26-19)20(28)23-10-9-16-13-30-21(24-16)15-3-5-17(29-2)6-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71791786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).