1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide

C16H16N4O2S — CID 4883117

IUPAC1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3nccs3)CCC2=O)c1
InChIInChI=1S/C16H16N4O2S/c1-10-3-4-11(2)13(9-10)20-14(21)6-5-12(19-20)15(22)18-16-17-7-8-23-16/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,22)
InChIKeyZLEXTCJSZDVHNF-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.88
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 4883117) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID4883117
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3nccs3)CCC2=O)c1
InChIInChI=1S/C16H16N4O2S/c1-10-3-4-11(2)13(9-10)20-14(21)6-5-12(19-20)15(22)18-16-17-7-8-23-16/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,22)
InChIKeyZLEXTCJSZDVHNF-UHFFFAOYSA-N
XLogP2.88
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide (CID 4883117) is 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)Nc3nccs3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZLEXTCJSZDVHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-3-4-11(2)13(9-10)20-14(21)6-5-12(19-20)15(22)18-16-17-7-8-23-16/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,22).
What are the key properties of 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 4883117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).