2-pent-3-ynyl-1,3-thiazolidine

C8H13NS — CID 3058774

IUPAC2-pent-3-ynyl-1,3-thiazolidine
SMILESCC#CCCC1NCCS1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h8-9H,4-7H2,1H3
InChIKeyIQQMFMPZNGYKNM-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.45
Rot. Bonds2

About 2-pent-3-ynyl-1,3-thiazolidine

2-pent-3-ynyl-1,3-thiazolidine (PubChem CID 3058774) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-pent-3-ynyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-pent-3-ynyl-1,3-thiazolidine
PubChem CID3058774
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-pent-3-ynyl-1,3-thiazolidine
SMILESCC#CCCC1NCCS1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h8-9H,4-7H2,1H3
InChIKeyIQQMFMPZNGYKNM-UHFFFAOYSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.45
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-pent-3-ynyl-1,3-thiazolidine?
The IUPAC name of 2-pent-3-ynyl-1,3-thiazolidine (CID 3058774) is 2-pent-3-ynyl-1,3-thiazolidine.
What is the SMILES notation for 2-pent-3-ynyl-1,3-thiazolidine?
The canonical SMILES for 2-pent-3-ynyl-1,3-thiazolidine is CC#CCCC1NCCS1.
What is the InChIKey of 2-pent-3-ynyl-1,3-thiazolidine?
The InChIKey is IQQMFMPZNGYKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h8-9H,4-7H2,1H3.
What are the key properties of 2-pent-3-ynyl-1,3-thiazolidine?
2-pent-3-ynyl-1,3-thiazolidine has a molecular weight of 155.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-3-ynyl-1,3-thiazolidine is sourced from PubChem (CID 3058774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).