2-[(Z)-oct-2-enyl]-1,3-thiazolidine

C11H21NS — CID 5352329

IUPAC2-[(Z)-oct-2-enyl]-1,3-thiazolidine
SMILESCCCCC/C=C\CC1NCCS1
InChIInChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h6-7,11-12H,2-5,8-10H2,1H3/b7-6-
InChIKeyTWIKNBZHELKJGO-SREVYHEPSA-N
MW199.36 g/mol
LogP3.18
Rot. Bonds6

About 2-[(Z)-oct-2-enyl]-1,3-thiazolidine

2-[(Z)-oct-2-enyl]-1,3-thiazolidine (PubChem CID 5352329) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-[(Z)-oct-2-enyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(Z)-oct-2-enyl]-1,3-thiazolidine
PubChem CID5352329
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-[(Z)-oct-2-enyl]-1,3-thiazolidine
SMILESCCCCC/C=C\CC1NCCS1
InChIInChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h6-7,11-12H,2-5,8-10H2,1H3/b7-6-
InChIKeyTWIKNBZHELKJGO-SREVYHEPSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z)-oct-2-enyl]-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-oct-2-enyl]-1,3-thiazolidine?
The IUPAC name of 2-[(Z)-oct-2-enyl]-1,3-thiazolidine (CID 5352329) is 2-[(Z)-oct-2-enyl]-1,3-thiazolidine.
What is the SMILES notation for 2-[(Z)-oct-2-enyl]-1,3-thiazolidine?
The canonical SMILES for 2-[(Z)-oct-2-enyl]-1,3-thiazolidine is CCCCC/C=C\CC1NCCS1.
What is the InChIKey of 2-[(Z)-oct-2-enyl]-1,3-thiazolidine?
The InChIKey is TWIKNBZHELKJGO-SREVYHEPSA-N. The full InChI is InChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h6-7,11-12H,2-5,8-10H2,1H3/b7-6-.
What are the key properties of 2-[(Z)-oct-2-enyl]-1,3-thiazolidine?
2-[(Z)-oct-2-enyl]-1,3-thiazolidine has a molecular weight of 199.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-oct-2-enyl]-1,3-thiazolidine is sourced from PubChem (CID 5352329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).