4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one

C23H26N4O2S — CID 172655760

About 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one

4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one (PubChem CID 172655760) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one
• PubChem CID: 172655760
• Molecular Formula: C23H26N4O2S
• Molecular Weight: 422.55 g/mol
• Exact Mass: 422.18
• IUPAC Name: 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one
• SMILES: Cc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)N1CCN(c2nccs2)CC1
• InChI: InChI=1S/C23H26N4O2S/c1-16(2)18-5-4-6-19(15-18)27-9-7-17(3)20(22(27)29)21(28)25-10-12-26(13-11-25)23-24-8-14-30-23/h4-9,14-16H,10-13H2,1-3H3
• InChIKey: RNDSCMPUPCWXKX-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 58.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.55
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one?

The IUPAC name of 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one (CID 172655760) is 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one.

What is the SMILES notation for 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one?

The canonical SMILES for 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one is Cc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)N1CCN(c2nccs2)CC1.

What is the InChIKey of 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one?

The InChIKey is RNDSCMPUPCWXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16(2)18-5-4-6-19(15-18)27-9-7-17(3)20(22(27)29)21(28)25-10-12-26(13-11-25)23-24-8-14-30-23/h4-9,14-16H,10-13H2,1-3H3.

What are the key properties of 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one?

4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 422.55 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 172655760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).