2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine

C₉H₁₇NS — CID 14510630

About 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine

2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine (PubChem CID 14510630) has the molecular formula C₉H₁₇NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine.

Molecular Properties

• Compound Name: 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine
• PubChem CID: 14510630
• Molecular Formula: C₉H₁₇NS
• Molecular Weight: 171.31 g/mol
• Exact Mass: 171.11
• IUPAC Name: 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine
• SMILES: C=CC(C)(CC)C1NCCS1
• InChI: InChI=1S/C9H17NS/c1-4-9(3,5-2)8-10-6-7-11-8/h4,8,10H,1,5-7H2,2-3H3
• InChIKey: RTEHPDVQJDWGOA-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.31
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine?

The IUPAC name of 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine (CID 14510630) is 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine.

What is the SMILES notation for 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine?

The canonical SMILES for 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine is C=CC(C)(CC)C1NCCS1.

What is the InChIKey of 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine?

The InChIKey is RTEHPDVQJDWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-4-9(3,5-2)8-10-6-7-11-8/h4,8,10H,1,5-7H2,2-3H3.

What are the key properties of 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine?

2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine is sourced from PubChem (CID 14510630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14510630 — identifiers, structure, computed properties (public domain)

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