2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide

C14H25N5OS2 — CID 124751530

About 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide

2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide (PubChem CID 124751530) has the molecular formula C14H25N5OS2 and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide
• PubChem CID: 124751530
• Molecular Formula: C14H25N5OS2
• Molecular Weight: 343.52 g/mol
• Exact Mass: 343.15
• IUPAC Name: 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide
• SMILES: Cc1nnc(SCCCNC(=O)C[C@H]2CN(C)CCN2C)s1
• InChI: InChI=1S/C14H25N5OS2/c1-11-16-17-14(22-11)21-8-4-5-15-13(20)9-12-10-18(2)6-7-19(12)3/h12H,4-10H2,1-3H3,(H,15,20)/t12-/m0/s1
• InChIKey: GUZPEXRLWDOHHY-LBPRGKRZSA-N
• XLogP: 1.08
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.52
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide?

The IUPAC name of 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide (CID 124751530) is 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide.

What is the SMILES notation for 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide?

The canonical SMILES for 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide is Cc1nnc(SCCCNC(=O)C[C@H]2CN(C)CCN2C)s1.

What is the InChIKey of 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide?

The InChIKey is GUZPEXRLWDOHHY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N5OS2/c1-11-16-17-14(22-11)21-8-4-5-15-13(20)9-12-10-18(2)6-7-19(12)3/h12H,4-10H2,1-3H3,(H,15,20)/t12-/m0/s1.

What are the key properties of 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide?

2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide has a molecular weight of 343.52 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide is sourced from PubChem (CID 124751530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).