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

C16H26N4O2S — CID 70634370

IUPAC3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one
SMILESCCCCCN1CC(O)N(c2nnc(C3CCCCC3)s2)C1=O
InChIInChI=1S/C16H26N4O2S/c1-2-3-7-10-19-11-13(21)20(16(19)22)15-18-17-14(23-15)12-8-5-4-6-9-12/h12-13,21H,2-11H2,1H3
InChIKeyIKSAXXPPYARNBE-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.34
Rot. Bonds6

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

3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one (PubChem CID 70634370) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one
PubChem CID70634370
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one
SMILESCCCCCN1CC(O)N(c2nnc(C3CCCCC3)s2)C1=O
InChIInChI=1S/C16H26N4O2S/c1-2-3-7-10-19-11-13(21)20(16(19)22)15-18-17-14(23-15)12-8-5-4-6-9-12/h12-13,21H,2-11H2,1H3
InChIKeyIKSAXXPPYARNBE-UHFFFAOYSA-N
XLogP3.34
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-ethyl-4-hydroxy-1,3-diazinan-2-one
CID 21481917
3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
CID 21481857
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-1,3-diazinan-2-one
CID 21481855
1-hexyl-4-hydroxy-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-2-one
CID 21400119
[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-[(E)-pent-3-enyl]-1,3-diazinan-4-yl] pentanoate
CID 21481915
4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-1,2,4-triazolidin-3-one
CID 21454620
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 108729682
3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one
CID 70473772
[3-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-pentyl-1,3-diazinan-4-yl] pentyl carbonate
CID 21418621
[3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-bromobenzoate
CID 21481870
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 108729648
S-[[1-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168669088

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one?
The IUPAC name of 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one (CID 70634370) is 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one.
What is the SMILES notation for 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one?
The canonical SMILES for 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one is CCCCCN1CC(O)N(c2nnc(C3CCCCC3)s2)C1=O.
What is the InChIKey of 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one?
The InChIKey is IKSAXXPPYARNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-2-3-7-10-19-11-13(21)20(16(19)22)15-18-17-14(23-15)12-8-5-4-6-9-12/h12-13,21H,2-11H2,1H3.
What are the key properties of 3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one?
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-pentylimidazolidin-2-one has a molecular weight of 338.48 g/mol, XLogP of 3.34, 6 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-pentylimidazolidin-2-one is sourced from PubChem (CID 70634370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).