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

C13H18N4O2S — CID 56722201

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

N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 56722201) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
• PubChem CID: 56722201
• Molecular Formula: C13H18N4O2S
• Molecular Weight: 294.38 g/mol
• Exact Mass: 294.12
• IUPAC Name: N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
• SMILES: CC(C)c1nc(CN(C)C(=O)C2=NNC(=O)CC2)cs1
• InChI: InChI=1S/C13H18N4O2S/c1-8(2)12-14-9(7-20-12)6-17(3)13(19)10-4-5-11(18)16-15-10/h7-8H,4-6H2,1-3H3,(H,16,18)
• InChIKey: ZHKZBSAGXLOMDR-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.38
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?

The IUPAC name of N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 56722201) is N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

What is the SMILES notation for N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?

The canonical SMILES for N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)c1nc(CN(C)C(=O)C2=NNC(=O)CC2)cs1.

What is the InChIKey of N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?

The InChIKey is ZHKZBSAGXLOMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8(2)12-14-9(7-20-12)6-17(3)13(19)10-4-5-11(18)16-15-10/h7-8H,4-6H2,1-3H3,(H,16,18).

What are the key properties of N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?

N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 56722201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).