2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine

C10H15NS — CID 12600012

IUPAC2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine
SMILESC#C/C=C/CCC1(C)NCCS1
InChIInChI=1S/C10H15NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,4-5,11H,6-9H2,2H3/b5-4+
InChIKeyBJJJPUOJJARABI-SNAWJCMRSA-N
MW181.30 g/mol
LogP2.01
Rot. Bonds3

About 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine

2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine (PubChem CID 12600012) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine
PubChem CID12600012
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine
SMILESC#C/C=C/CCC1(C)NCCS1
InChIInChI=1S/C10H15NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,4-5,11H,6-9H2,2H3/b5-4+
InChIKeyBJJJPUOJJARABI-SNAWJCMRSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine (CID 12600012) is 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine is C#C/C=C/CCC1(C)NCCS1.
What is the InChIKey of 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine?
The InChIKey is BJJJPUOJJARABI-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,4-5,11H,6-9H2,2H3/b5-4+.
What are the key properties of 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine?
2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine has a molecular weight of 181.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 12600012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).