3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one

C12H19N5O3S — CID 70639025

IUPAC3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
SMILESCCOc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1
InChIInChI=1S/C12H19N5O3S/c1-3-20-11-14-13-10(21-11)17-9(8-15(2)12(17)18)16-4-6-19-7-5-16/h9H,3-8H2,1-2H3
InChIKeyAMOQNAWAOUUHIP-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.47
Rot. Bonds4

About 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one

3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one (PubChem CID 70639025) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
PubChem CID70639025
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
SMILESCCOc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1
InChIInChI=1S/C12H19N5O3S/c1-3-20-11-14-13-10(21-11)17-9(8-15(2)12(17)18)16-4-6-19-7-5-16/h9H,3-8H2,1-2H3
InChIKeyAMOQNAWAOUUHIP-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 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The IUPAC name of 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one (CID 70639025) is 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one.
What is the SMILES notation for 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The canonical SMILES for 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one is CCOc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1.
What is the InChIKey of 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The InChIKey is AMOQNAWAOUUHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-3-20-11-14-13-10(21-11)17-9(8-15(2)12(17)18)16-4-6-19-7-5-16/h9H,3-8H2,1-2H3.
What are the key properties of 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-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 3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one is sourced from PubChem (CID 70639025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).