5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione

C21H31NO2S — CID 86296164

IUPAC5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione
SMILESCC/C=C/C/C=C\C/C=C\C/C=C\CCCCCC1SC(=O)NC1=O
InChIInChI=1S/C21H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)22-21(24)25-19/h3-4,6-7,9-10,12-13,19H,2,5,8,11,14-18H2,1H3,(H,22,23,24)/b4-3+,7-6-,10-9-,13-12-
InChIKeyFVZBONKEUACNHU-SVQCLFHDSA-N
MW361.55 g/mol
LogP6.09
Rot. Bonds13

About 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione

5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione (PubChem CID 86296164) has the molecular formula C21H31NO2S and a molecular weight of 361.55 g/mol. Its IUPAC name is 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione
PubChem CID86296164
Molecular FormulaC21H31NO2S
Molecular Weight361.55 g/mol
Exact Mass361.21
IUPAC Name5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione
SMILESCC/C=C/C/C=C\C/C=C\C/C=C\CCCCCC1SC(=O)NC1=O
InChIInChI=1S/C21H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)22-21(24)25-19/h3-4,6-7,9-10,12-13,19H,2,5,8,11,14-18H2,1H3,(H,22,23,24)/b4-3+,7-6-,10-9-,13-12-
InChIKeyFVZBONKEUACNHU-SVQCLFHDSA-N
XLogP6.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

5-[(11Z,14Z,17Z)-icosa-11,14,17-trienyl]-1,3-thiazolidine-2,4-dione
CID 86296165
1-[(Z)-11-(2-methylidene-4-oxo-1,3-thiazolidin-5-yl)undec-5-enyl]-3-pentylurea
CID 90132298
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3E,16E)-nonadeca-3,16-diene
CID 157471321
henicosa-15,18-dienoic acid
CID 169277369
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160

Frequently Asked Questions

What is the IUPAC name of 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione (CID 86296164) is 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione is CC/C=C/C/C=C\C/C=C\C/C=C\CCCCCC1SC(=O)NC1=O.
What is the InChIKey of 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FVZBONKEUACNHU-SVQCLFHDSA-N. The full InChI is InChI=1S/C21H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)22-21(24)25-19/h3-4,6-7,9-10,12-13,19H,2,5,8,11,14-18H2,1H3,(H,22,23,24)/b4-3+,7-6-,10-9-,13-12-.
What are the key properties of 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione?
5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 361.55 g/mol, XLogP of 6.09, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6Z,9Z,12Z,15E)-octadeca-6,9,12,15-tetraenyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 86296164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).