2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

C23H24N6OS — CID 78841880

About 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 78841880) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 78841880
• Molecular Formula: C23H24N6OS
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.17
• IUPAC Name: 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2csc(NC(=O)C(C)N3CCN(c4ncccc4C#N)CC3)n2)cc1
• InChI: InChI=1S/C23H24N6OS/c1-16-5-7-18(8-6-16)20-15-31-23(26-20)27-22(30)17(2)28-10-12-29(13-11-28)21-19(14-24)4-3-9-25-21/h3-9,15,17H,10-13H2,1-2H3,(H,26,27,30)
• InChIKey: UCIGWNMGWQMQTM-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 85.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 78841880) is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)C(C)N3CCN(c4ncccc4C#N)CC3)n2)cc1.

What is the InChIKey of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is UCIGWNMGWQMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-16-5-7-18(8-6-16)20-15-31-23(26-20)27-22(30)17(2)28-10-12-29(13-11-28)21-19(14-24)4-3-9-25-21/h3-9,15,17H,10-13H2,1-2H3,(H,26,27,30).

What are the key properties of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 432.55 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78841880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).