2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

C21H23N5O2S — CID 126936211

About 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 126936211) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 126936211
• Molecular Formula: C21H23N5O2S
• Molecular Weight: 409.52 g/mol
• Exact Mass: 409.16
• IUPAC Name: 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)s1
• InChI: InChI=1S/C21H23N5O2S/c1-13-20(29-14(2)23-13)21(28)24-16-5-7-17(8-6-16)26-19(27)10-9-18(25-26)15-4-3-11-22-12-15/h3-4,9-12,16-17H,5-8H2,1-2H3,(H,24,28)
• InChIKey: JVBFHWVXPLVMLA-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.52
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 126936211) is 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)s1.

What is the InChIKey of 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?

The InChIKey is JVBFHWVXPLVMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13-20(29-14(2)23-13)21(28)24-16-5-7-17(8-6-16)26-19(27)10-9-18(25-26)15-4-3-11-22-12-15/h3-4,9-12,16-17H,5-8H2,1-2H3,(H,24,28).

What are the key properties of 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?

2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126936211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).