1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one

C14H22N4O3S — CID 70619911

IUPAC1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCC=CCCCc1nnc(N2C(=O)N(C)C(COC)C2O)s1
InChIInChI=1S/C14H22N4O3S/c1-4-5-6-7-8-11-15-16-13(22-11)18-12(19)10(9-21-3)17(2)14(18)20/h4-5,10,12,19H,6-9H2,1-3H3
InChIKeyZDKMRPVSUHQGOG-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.64
Rot. Bonds7

About 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one

1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (PubChem CID 70619911) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
PubChem CID70619911
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCC=CCCCc1nnc(N2C(=O)N(C)C(COC)C2O)s1
InChIInChI=1S/C14H22N4O3S/c1-4-5-6-7-8-11-15-16-13(22-11)18-12(19)10(9-21-3)17(2)14(18)20/h4-5,10,12,19H,6-9H2,1-3H3
InChIKeyZDKMRPVSUHQGOG-UHFFFAOYSA-N
XLogP1.64
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (CID 70619911) is 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is CC=CCCCc1nnc(N2C(=O)N(C)C(COC)C2O)s1.
What is the InChIKey of 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The InChIKey is ZDKMRPVSUHQGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-4-5-6-7-8-11-15-16-13(22-11)18-12(19)10(9-21-3)17(2)14(18)20/h4-5,10,12,19H,6-9H2,1-3H3.
What are the key properties of 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one has a molecular weight of 326.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hex-4-enyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 70619911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).