2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C20H23N5O2S — CID 87947563

About 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87947563) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 87947563
• Molecular Formula: C20H23N5O2S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.16
• IUPAC Name: 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)n1nc(-c2sc(NC(=O)CN(C)C)nc2-c2ccccc2)ccc1=O
• InChI: InChI=1S/C20H23N5O2S/c1-13(2)25-17(27)11-10-15(23-25)19-18(14-8-6-5-7-9-14)22-20(28-19)21-16(26)12-24(3)4/h5-11,13H,12H2,1-4H3,(H,21,22,26)
• InChIKey: NZABDEAFDDALPE-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 87947563) is 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is CC(C)n1nc(-c2sc(NC(=O)CN(C)C)nc2-c2ccccc2)ccc1=O.

What is the InChIKey of 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is NZABDEAFDDALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13(2)25-17(27)11-10-15(23-25)19-18(14-8-6-5-7-9-14)22-20(28-19)21-16(26)12-24(3)4/h5-11,13H,12H2,1-4H3,(H,21,22,26).

What are the key properties of 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?

2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87947563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).