3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole

C11H11NS — CID 130253190

IUPAC3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole
SMILESC=C/C=C\C=C(/C=C)c1ccsn1
InChIInChI=1S/C11H11NS/c1-3-5-6-7-10(4-2)11-8-9-13-12-11/h3-9H,1-2H2/b6-5-,10-7+
InChIKeyGPXDHKNJZUXJLC-ZZWPSLBBSA-N
MW189.28 g/mol
LogP3.45
Rot. Bonds4

About 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole

3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole (PubChem CID 130253190) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole.

Molecular Properties

Compound Name3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole
PubChem CID130253190
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole
SMILESC=C/C=C\C=C(/C=C)c1ccsn1
InChIInChI=1S/C11H11NS/c1-3-5-6-7-10(4-2)11-8-9-13-12-11/h3-9H,1-2H2/b6-5-,10-7+
InChIKeyGPXDHKNJZUXJLC-ZZWPSLBBSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.45
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-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole?
The IUPAC name of 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole (CID 130253190) is 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole.
What is the SMILES notation for 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole?
The canonical SMILES for 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole is C=C/C=C\C=C(/C=C)c1ccsn1.
What is the InChIKey of 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole?
The InChIKey is GPXDHKNJZUXJLC-ZZWPSLBBSA-N. The full InChI is InChI=1S/C11H11NS/c1-3-5-6-7-10(4-2)11-8-9-13-12-11/h3-9H,1-2H2/b6-5-,10-7+.
What are the key properties of 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole?
3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole has a molecular weight of 189.28 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole is sourced from PubChem (CID 130253190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).