1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H18N4O2S — CID 78826199

IUPAC1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C)cc1
InChIInChI=1S/C17H18N4O2S/c1-10-4-6-12(7-5-10)15-11(2)24-17(18-15)19-16(23)13-8-9-14(22)21(3)20-13/h4-7H,8-9H2,1-3H3,(H,18,19,23)
InChIKeyHGUNHLFVDANWRL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.97
Rot. Bonds3

About 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 78826199) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID78826199
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C)cc1
InChIInChI=1S/C17H18N4O2S/c1-10-4-6-12(7-5-10)15-11(2)24-17(18-15)19-16(23)13-8-9-14(22)21(3)20-13/h4-7H,8-9H2,1-3H3,(H,18,19,23)
InChIKeyHGUNHLFVDANWRL-UHFFFAOYSA-N
XLogP2.97
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 78826199) is 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(-c2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C)cc1.
What is the InChIKey of 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HGUNHLFVDANWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-4-6-12(7-5-10)15-11(2)24-17(18-15)19-16(23)13-8-9-14(22)21(3)20-13/h4-7H,8-9H2,1-3H3,(H,18,19,23).
What are the key properties of 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 78826199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).