ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one

C15H23NOS — CID 144510905

IUPACethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESC=C/C(=C\C=C/C)Cn1c(C)c(C)sc1=O.CC
InChIInChI=1S/C13H17NOS.C2H6/c1-5-7-8-12(6-2)9-14-10(3)11(4)16-13(14)15;1-2/h5-8H,2,9H2,1,3-4H3;1-2H3/b7-5-,12-8+;
InChIKeyAJPCQZLOUAZJGN-LOLBUNACSA-N
MW265.42 g/mol
LogP4.24
Rot. Bonds4

About ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one

ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 144510905) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Nameethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID144510905
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Nameethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESC=C/C(=C\C=C/C)Cn1c(C)c(C)sc1=O.CC
InChIInChI=1S/C13H17NOS.C2H6/c1-5-7-8-12(6-2)9-14-10(3)11(4)16-13(14)15;1-2/h5-8H,2,9H2,1,3-4H3;1-2H3/b7-5-,12-8+;
InChIKeyAJPCQZLOUAZJGN-LOLBUNACSA-N
XLogP4.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 144510905) is ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one is C=C/C(=C\C=C/C)Cn1c(C)c(C)sc1=O.CC.
What is the InChIKey of ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is AJPCQZLOUAZJGN-LOLBUNACSA-N. The full InChI is InChI=1S/C13H17NOS.C2H6/c1-5-7-8-12(6-2)9-14-10(3)11(4)16-13(14)15;1-2/h5-8H,2,9H2,1,3-4H3;1-2H3/b7-5-,12-8+;.
What are the key properties of ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one?
ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 265.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 144510905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).