2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide

C18H23N5O2S — CID 126444704

About 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide

2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide (PubChem CID 126444704) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
• PubChem CID: 126444704
• Molecular Formula: C18H23N5O2S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.16
• IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
• SMILES: Cc1nnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C)s1
• InChI: InChI=1S/C18H23N5O2S/c1-12-5-3-4-6-14(12)11-23-8-7-19-18(25)15(23)9-16(24)20-10-17-22-21-13(2)26-17/h3-6,15H,7-11H2,1-2H3,(H,19,25)(H,20,24)/t15-/m1/s1
• InChIKey: GGWPHKRELIIIBF-OAHLLOKOSA-N
• XLogP: 1.16
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide (CID 126444704) is 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide is Cc1nnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C)s1.

What is the InChIKey of 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?

The InChIKey is GGWPHKRELIIIBF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12-5-3-4-6-14(12)11-23-8-7-19-18(25)15(23)9-16(24)20-10-17-22-21-13(2)26-17/h3-6,15H,7-11H2,1-2H3,(H,19,25)(H,20,24)/t15-/m1/s1.

What are the key properties of 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide?

2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 126444704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).