2-(4-methylpent-3-enyl)-1,3-thiazolidine

C9H17NS — CID 71365936

IUPAC2-(4-methylpent-3-enyl)-1,3-thiazolidine
SMILESCC(C)=CCCC1NCCS1
InChIInChI=1S/C9H17NS/c1-8(2)4-3-5-9-10-6-7-11-9/h4,9-10H,3,5-7H2,1-2H3
InChIKeyWEQRMLKGBRBINL-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-methylpent-3-enyl)-1,3-thiazolidine

2-(4-methylpent-3-enyl)-1,3-thiazolidine (PubChem CID 71365936) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(4-methylpent-3-enyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-methylpent-3-enyl)-1,3-thiazolidine
PubChem CID71365936
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(4-methylpent-3-enyl)-1,3-thiazolidine
SMILESCC(C)=CCCC1NCCS1
InChIInChI=1S/C9H17NS/c1-8(2)4-3-5-9-10-6-7-11-9/h4,9-10H,3,5-7H2,1-2H3
InChIKeyWEQRMLKGBRBINL-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-enyl)-1,3-thiazolidine?
The IUPAC name of 2-(4-methylpent-3-enyl)-1,3-thiazolidine (CID 71365936) is 2-(4-methylpent-3-enyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(4-methylpent-3-enyl)-1,3-thiazolidine?
The canonical SMILES for 2-(4-methylpent-3-enyl)-1,3-thiazolidine is CC(C)=CCCC1NCCS1.
What is the InChIKey of 2-(4-methylpent-3-enyl)-1,3-thiazolidine?
The InChIKey is WEQRMLKGBRBINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)4-3-5-9-10-6-7-11-9/h4,9-10H,3,5-7H2,1-2H3.
What are the key properties of 2-(4-methylpent-3-enyl)-1,3-thiazolidine?
2-(4-methylpent-3-enyl)-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-enyl)-1,3-thiazolidine is sourced from PubChem (CID 71365936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).