N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide

C17H17N5O2S — CID 121101075

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (PubChem CID 121101075) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
• PubChem CID: 121101075
• Molecular Formula: C17H17N5O2S
• Molecular Weight: 355.42 g/mol
• Exact Mass: 355.11
• IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
• SMILES: Cc1nc(NC(=O)C(C)n2nc(-c3cccnc3)ccc2=O)sc1C
• InChI: InChI=1S/C17H17N5O2S/c1-10-12(3)25-17(19-10)20-16(24)11(2)22-15(23)7-6-14(21-22)13-5-4-8-18-9-13/h4-9,11H,1-3H3,(H,19,20,24)
• InChIKey: CASGGNGLJKSOMR-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.42
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?

The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (CID 121101075) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is Cc1nc(NC(=O)C(C)n2nc(-c3cccnc3)ccc2=O)sc1C.

What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?

The InChIKey is CASGGNGLJKSOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-12(3)25-17(19-10)20-16(24)11(2)22-15(23)7-6-14(21-22)13-5-4-8-18-9-13/h4-9,11H,1-3H3,(H,19,20,24).

What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide has a molecular weight of 355.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).