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

C10H17NS — CID 6447467

IUPAC2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine
SMILESC=C/C=C/CCC1(C)NCCS1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h3-5,11H,1,6-9H2,2H3/b5-4+
InChIKeyVBANYWLSKUFJFP-SNAWJCMRSA-N
MW183.32 g/mol
LogP2.56
Rot. Bonds4

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

2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine (PubChem CID 6447467) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine
PubChem CID6447467
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine
SMILESC=C/C=C/CCC1(C)NCCS1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h3-5,11H,1,6-9H2,2H3/b5-4+
InChIKeyVBANYWLSKUFJFP-SNAWJCMRSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
2-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
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
2-(But-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058778
Thiazolidine, 2-methyl-2-(3,4-pentadienyl)-
CID 3058789
2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
Thiazolidine, 2-(hept-3-en-6-ynyl)-2-methyl-, (E)-
CID 6447470
2-((Z)-2-butenyl)thiazolidine
CID 5352326
2-((Z)-2-heptenyl)thiazolidine
CID 5352327

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine (CID 6447467) is 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine is C=C/C=C/CCC1(C)NCCS1.
What is the InChIKey of 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine?
The InChIKey is VBANYWLSKUFJFP-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h3-5,11H,1,6-9H2,2H3/b5-4+.
What are the key properties of 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine?
2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine has a molecular weight of 183.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 6447467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).