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

C10H16N4O4S — CID 70619499

IUPAC1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCCOc1nnc(N2C(=O)N(C)C(COC)C2O)s1
InChIInChI=1S/C10H16N4O4S/c1-4-18-9-12-11-8(19-9)14-7(15)6(5-17-3)13(2)10(14)16/h6-7,15H,4-5H2,1-3H3
InChIKeyWEBSCBWRCHYNRM-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.14
Rot. Bonds5

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

1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (PubChem CID 70619499) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
PubChem CID70619499
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCCOc1nnc(N2C(=O)N(C)C(COC)C2O)s1
InChIInChI=1S/C10H16N4O4S/c1-4-18-9-12-11-8(19-9)14-7(15)6(5-17-3)13(2)10(14)16/h6-7,15H,4-5H2,1-3H3
InChIKeyWEBSCBWRCHYNRM-UHFFFAOYSA-N
XLogP0.14
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (CID 70619499) is 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is CCOc1nnc(N2C(=O)N(C)C(COC)C2O)s1.
What is the InChIKey of 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The InChIKey is WEBSCBWRCHYNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-4-18-9-12-11-8(19-9)14-7(15)6(5-17-3)13(2)10(14)16/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one has a molecular weight of 288.33 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 70619499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).