2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide

C27H32N4O2S — CID 30214326

About 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide

2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide (PubChem CID 30214326) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide
• PubChem CID: 30214326
• Molecular Formula: C27H32N4O2S
• Molecular Weight: 476.65 g/mol
• Exact Mass: 476.22
• IUPAC Name: 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide
• SMILES: Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(C)C
• InChI: InChI=1S/C27H32N4O2S/c1-19(2)24(29-25(32)23-12-8-7-9-20(23)3)27(33)31-15-13-30(14-16-31)17-22-18-34-26(28-22)21-10-5-4-6-11-21/h4-12,18-19,24H,13-17H2,1-3H3,(H,29,32)/t24-/m0/s1
• InChIKey: UZFYFDZDPXWJAA-DEOSSOPVSA-N
• XLogP: 4.22
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.65
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide?

The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide (CID 30214326) is 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide.

What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide?

The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(C)C.

What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide?

The InChIKey is UZFYFDZDPXWJAA-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-19(2)24(29-25(32)23-12-8-7-9-20(23)3)27(33)31-15-13-30(14-16-31)17-22-18-34-26(28-22)21-10-5-4-6-11-21/h4-12,18-19,24H,13-17H2,1-3H3,(H,29,32)/t24-/m0/s1.

What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide?

2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide has a molecular weight of 476.65 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 30214326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).