N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide

C12H18N4O2S — CID 54115858

IUPACN-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nsnc1C1=CCCNC1C
InChIInChI=1S/C12H18N4O2S/c1-8-10(4-3-5-13-8)11-12(16-19-15-11)18-7-6-14-9(2)17/h4,8,13H,3,5-7H2,1-2H3,(H,14,17)
InChIKeyNKHNNRQTLDWKEV-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.82
Rot. Bonds5

About N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide

N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide (PubChem CID 54115858) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide
PubChem CID54115858
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nsnc1C1=CCCNC1C
InChIInChI=1S/C12H18N4O2S/c1-8-10(4-3-5-13-8)11-12(16-19-15-11)18-7-6-14-9(2)17/h4,8,13H,3,5-7H2,1-2H3,(H,14,17)
InChIKeyNKHNNRQTLDWKEV-UHFFFAOYSA-N
XLogP0.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide (CID 54115858) is N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide is CC(=O)NCCOc1nsnc1C1=CCCNC1C.
What is the InChIKey of N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide?
The InChIKey is NKHNNRQTLDWKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8-10(4-3-5-13-8)11-12(16-19-15-11)18-7-6-14-9(2)17/h4,8,13H,3,5-7H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide?
N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 54115858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).