3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one

C12H18N4O2S — CID 21481917

IUPAC3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one
SMILESCCN1CCC(O)N(c2nnc(C3CCC3)s2)C1=O
InChIInChI=1S/C12H18N4O2S/c1-2-15-7-6-9(17)16(12(15)18)11-14-13-10(19-11)8-4-3-5-8/h8-9,17H,2-7H2,1H3
InChIKeyYXINJGZPEZUOHM-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.78
Rot. Bonds3

About 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one

3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one (PubChem CID 21481917) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one
PubChem CID21481917
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one
SMILESCCN1CCC(O)N(c2nnc(C3CCC3)s2)C1=O
InChIInChI=1S/C12H18N4O2S/c1-2-15-7-6-9(17)16(12(15)18)11-14-13-10(19-11)8-4-3-5-8/h8-9,17H,2-7H2,1H3
InChIKeyYXINJGZPEZUOHM-UHFFFAOYSA-N
XLogP1.78
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one?
The IUPAC name of 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one (CID 21481917) is 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one.
What is the SMILES notation for 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one?
The canonical SMILES for 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one is CCN1CCC(O)N(c2nnc(C3CCC3)s2)C1=O.
What is the InChIKey of 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one?
The InChIKey is YXINJGZPEZUOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-2-15-7-6-9(17)16(12(15)18)11-14-13-10(19-11)8-4-3-5-8/h8-9,17H,2-7H2,1H3.
What are the key properties of 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one?
3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one has a molecular weight of 282.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one is sourced from PubChem (CID 21481917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).