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

C10H16N4O4S2 — CID 70619674

IUPAC1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCCS(=O)c1nnc(N2C(=O)N(C)C(COC)C2O)s1
InChIInChI=1S/C10H16N4O4S2/c1-4-20(17)9-12-11-8(19-9)14-7(15)6(5-18-3)13(2)10(14)16/h6-7,15H,4-5H2,1-3H3
InChIKeyGQATULIHANCIMV-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.13
Rot. Bonds5

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

1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (PubChem CID 70619674) has the molecular formula C10H16N4O4S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
PubChem CID70619674
Molecular FormulaC10H16N4O4S2
Molecular Weight320.40 g/mol
Exact Mass320.06
IUPAC Name1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCCS(=O)c1nnc(N2C(=O)N(C)C(COC)C2O)s1
InChIInChI=1S/C10H16N4O4S2/c1-4-20(17)9-12-11-8(19-9)14-7(15)6(5-18-3)13(2)10(14)16/h6-7,15H,4-5H2,1-3H3
InChIKeyGQATULIHANCIMV-UHFFFAOYSA-N
XLogP-0.13
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (CID 70619674) is 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is CCS(=O)c1nnc(N2C(=O)N(C)C(COC)C2O)s1.
What is the InChIKey of 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The InChIKey is GQATULIHANCIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S2/c1-4-20(17)9-12-11-8(19-9)14-7(15)6(5-18-3)13(2)10(14)16/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one has a molecular weight of 320.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 70619674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).