3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one

C13H20N4O2S — CID 21481855

IUPAC3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
SMILESCN1CCC(O)N(c2nnc(C3CCCCC3)s2)C1=O
InChIInChI=1S/C13H20N4O2S/c1-16-8-7-10(18)17(13(16)19)12-15-14-11(20-12)9-5-3-2-4-6-9/h9-10,18H,2-8H2,1H3
InChIKeyYIFYQFKSPWBIRL-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.17
Rot. Bonds2

About 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one

3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one (PubChem CID 21481855) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
PubChem CID21481855
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
SMILESCN1CCC(O)N(c2nnc(C3CCCCC3)s2)C1=O
InChIInChI=1S/C13H20N4O2S/c1-16-8-7-10(18)17(13(16)19)12-15-14-11(20-12)9-5-3-2-4-6-9/h9-10,18H,2-8H2,1H3
InChIKeyYIFYQFKSPWBIRL-UHFFFAOYSA-N
XLogP2.17
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
CID 21481857
3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one
CID 21481917
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one
CID 70634370
[3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-bromobenzoate
CID 21481870
4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one
CID 21454620
[3-(2-chloroethyl)phenyl] [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] carbonate
CID 54567881
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 108729682
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 108729648
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
2-chloro-1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729706
[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-[(E)-pent-3-enyl]-1,3-diazinan-4-yl] pentanoate
CID 21481915
1-ethyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-1,3-diazinan-2-one
CID 21400110

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one?
The IUPAC name of 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one (CID 21481855) is 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one?
The canonical SMILES for 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one is CN1CCC(O)N(c2nnc(C3CCCCC3)s2)C1=O.
What is the InChIKey of 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one?
The InChIKey is YIFYQFKSPWBIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-16-8-7-10(18)17(13(16)19)12-15-14-11(20-12)9-5-3-2-4-6-9/h9-10,18H,2-8H2,1H3.
What are the key properties of 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one?
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one has a molecular weight of 296.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 21481855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).