2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine

C9H15NS — CID 57204285

IUPAC2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine
SMILESC=CC/C=C/CC1NCCS1
InChIInChI=1S/C9H15NS/c1-2-3-4-5-6-9-10-7-8-11-9/h2,4-5,9-10H,1,3,6-8H2/b5-4+
InChIKeyGAHAHRTUHNCSLP-SNAWJCMRSA-N
MW169.29 g/mol
LogP2.17
Rot. Bonds4

About 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine

2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine (PubChem CID 57204285) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine
PubChem CID57204285
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine
SMILESC=CC/C=C/CC1NCCS1
InChIInChI=1S/C9H15NS/c1-2-3-4-5-6-9-10-7-8-11-9/h2,4-5,9-10H,1,3,6-8H2/b5-4+
InChIKeyGAHAHRTUHNCSLP-SNAWJCMRSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiazolidine, 2-(hex-2-en-5-ynyl)-2-methyl-, (E)-
CID 6366650
Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
Thiazolidine, 2-(3,5-hexadienyl)-2-methyl-, (E)-
CID 6447467
2-((Z)-2-butenyl)thiazolidine
CID 5352326
2-((Z)-2-heptenyl)thiazolidine
CID 5352327
2-((Z)-2-hexenyl)thiazolidine
CID 5352328
2-((Z)-2-octenyl)thiazolidine
CID 5352329
2-((Z)-2-pentenyl)thiazolidine
CID 5352330
2-Prop-2-enyl-1,3-thiazolidine
CID 13901678

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine?
The IUPAC name of 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine (CID 57204285) is 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine.
What is the SMILES notation for 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine?
The canonical SMILES for 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine is C=CC/C=C/CC1NCCS1.
What is the InChIKey of 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine?
The InChIKey is GAHAHRTUHNCSLP-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-3-4-5-6-9-10-7-8-11-9/h2,4-5,9-10H,1,3,6-8H2/b5-4+.
What are the key properties of 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine?
2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine has a molecular weight of 169.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine is sourced from PubChem (CID 57204285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).