3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine

C11H17NS — CID 134503115

IUPAC3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine
SMILESC=C(CC)C(=C)C(=C)N1CCSC1
InChIInChI=1S/C11H17NS/c1-5-9(2)10(3)11(4)12-6-7-13-8-12/h2-8H2,1H3
InChIKeyIQNFUHXYHIUDMB-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.03
Rot. Bonds4

About 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine

3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine (PubChem CID 134503115) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine
PubChem CID134503115
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine
SMILESC=C(CC)C(=C)C(=C)N1CCSC1
InChIInChI=1S/C11H17NS/c1-5-9(2)10(3)11(4)12-6-7-13-8-12/h2-8H2,1H3
InChIKeyIQNFUHXYHIUDMB-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine?
The IUPAC name of 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine (CID 134503115) is 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine?
The canonical SMILES for 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine is C=C(CC)C(=C)C(=C)N1CCSC1.
What is the InChIKey of 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine?
The InChIKey is IQNFUHXYHIUDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-9(2)10(3)11(4)12-6-7-13-8-12/h2-8H2,1H3.
What are the key properties of 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine?
3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine has a molecular weight of 195.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylidenehex-1-en-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 134503115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).