1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one

C12H19N5O3S — CID 70638797

IUPAC1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one
SMILESCCN1CC(N2CCOCC2)N(c2nnc(OC)s2)C1=O
InChIInChI=1S/C12H19N5O3S/c1-3-15-8-9(16-4-6-20-7-5-16)17(12(15)18)10-13-14-11(19-2)21-10/h9H,3-8H2,1-2H3
InChIKeyKSMVTEUFKZHRGF-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.47
Rot. Bonds4

About 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one

1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one (PubChem CID 70638797) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one
PubChem CID70638797
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one
SMILESCCN1CC(N2CCOCC2)N(c2nnc(OC)s2)C1=O
InChIInChI=1S/C12H19N5O3S/c1-3-15-8-9(16-4-6-20-7-5-16)17(12(15)18)10-13-14-11(19-2)21-10/h9H,3-8H2,1-2H3
InChIKeyKSMVTEUFKZHRGF-UHFFFAOYSA-N
XLogP0.47
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one?
The IUPAC name of 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one (CID 70638797) is 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one is CCN1CC(N2CCOCC2)N(c2nnc(OC)s2)C1=O.
What is the InChIKey of 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one?
The InChIKey is KSMVTEUFKZHRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-3-15-8-9(16-4-6-20-7-5-16)17(12(15)18)10-13-14-11(19-2)21-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one?
1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one has a molecular weight of 313.38 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylimidazolidin-2-one is sourced from PubChem (CID 70638797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).