4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

C18H28N6O3S — CID 121115273

IUPAC4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCCc1nnsc1C(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1
InChIInChI=1S/C18H28N6O3S/c1-4-6-14-15(28-21-19-14)17(25)22-9-7-13(8-10-22)16-20-24(11-12-27-3)18(26)23(16)5-2/h13H,4-12H2,1-3H3
InChIKeyHLQFLECOALHITG-UHFFFAOYSA-N
MW408.53 g/mol
LogP1.53
Rot. Bonds8

About 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 121115273) has the molecular formula C18H28N6O3S and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID121115273
Molecular FormulaC18H28N6O3S
Molecular Weight408.53 g/mol
Exact Mass408.19
IUPAC Name4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCCc1nnsc1C(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1
InChIInChI=1S/C18H28N6O3S/c1-4-6-14-15(28-21-19-14)17(25)22-9-7-13(8-10-22)16-20-24(11-12-27-3)18(26)23(16)5-2/h13H,4-12H2,1-3H3
InChIKeyHLQFLECOALHITG-UHFFFAOYSA-N
XLogP1.53
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 121115333
4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 121115335
5-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115268
5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 71793159
4-ethyl-5-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115091
4-ethyl-2-(2-methoxyethyl)-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115207
4-ethyl-2-methyl-5-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56757630
5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115133
4-ethyl-2-(2-methoxyethyl)-5-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115281
3-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carbonyl]benzonitrile
CID 71793167
5-[1-(2,2-diphenylacetyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115214
5-[1-(4,5-dimethoxy-2-nitrobenzoyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115238

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 121115273) is 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is CCCc1nnsc1C(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1.
What is the InChIKey of 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is HLQFLECOALHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3S/c1-4-6-14-15(28-21-19-14)17(25)22-9-7-13(8-10-22)16-20-24(11-12-27-3)18(26)23(16)5-2/h13H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 408.53 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyethyl)-5-[1-(4-propylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 121115273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).