3-hexa-3,5-dienyl-1,2-thiazole

C9H11NS — CID 54188093

IUPAC3-hexa-3,5-dienyl-1,2-thiazole
SMILESC=CC=CCCc1ccsn1
InChIInChI=1S/C9H11NS/c1-2-3-4-5-6-9-7-8-11-10-9/h2-4,7-8H,1,5-6H2
InChIKeyXAXUHTWKZWFODP-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.82
Rot. Bonds4

About 3-hexa-3,5-dienyl-1,2-thiazole

3-hexa-3,5-dienyl-1,2-thiazole (PubChem CID 54188093) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-hexa-3,5-dienyl-1,2-thiazole.

Molecular Properties

Compound Name3-hexa-3,5-dienyl-1,2-thiazole
PubChem CID54188093
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3-hexa-3,5-dienyl-1,2-thiazole
SMILESC=CC=CCCc1ccsn1
InChIInChI=1S/C9H11NS/c1-2-3-4-5-6-9-7-8-11-10-9/h2-4,7-8H,1,5-6H2
InChIKeyXAXUHTWKZWFODP-UHFFFAOYSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.82
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-hexa-3,5-dienyl-1,2-thiazole?
The IUPAC name of 3-hexa-3,5-dienyl-1,2-thiazole (CID 54188093) is 3-hexa-3,5-dienyl-1,2-thiazole.
What is the SMILES notation for 3-hexa-3,5-dienyl-1,2-thiazole?
The canonical SMILES for 3-hexa-3,5-dienyl-1,2-thiazole is C=CC=CCCc1ccsn1.
What is the InChIKey of 3-hexa-3,5-dienyl-1,2-thiazole?
The InChIKey is XAXUHTWKZWFODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-3-4-5-6-9-7-8-11-10-9/h2-4,7-8H,1,5-6H2.
What are the key properties of 3-hexa-3,5-dienyl-1,2-thiazole?
3-hexa-3,5-dienyl-1,2-thiazole has a molecular weight of 165.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexa-3,5-dienyl-1,2-thiazole is sourced from PubChem (CID 54188093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).