N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid

C14H20N4O6S — CID 19612557

IUPACN-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid
SMILESCC(=O)NCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C12H18N4O2S.C2H2O4/c1-9(17)13-5-7-18-12-11(14-19-15-12)10-4-3-6-16(2)8-10;3-1(4)2(5)6/h4H,3,5-8H2,1-2H3,(H,13,17);(H,3,4)(H,5,6)
InChIKeyUMGOVTIEMHZTCU-UHFFFAOYSA-N
MW372.40 g/mol
LogP-0.07
Rot. Bonds5

About N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid

N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid (PubChem CID 19612557) has the molecular formula C14H20N4O6S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid.

Molecular Properties

Compound NameN-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid
PubChem CID19612557
Molecular FormulaC14H20N4O6S
Molecular Weight372.40 g/mol
Exact Mass372.11
IUPAC NameN-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid
SMILESCC(=O)NCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C12H18N4O2S.C2H2O4/c1-9(17)13-5-7-18-12-11(14-19-15-12)10-4-3-6-16(2)8-10;3-1(4)2(5)6/h4H,3,5-8H2,1-2H3,(H,13,17);(H,3,4)(H,5,6)
InChIKeyUMGOVTIEMHZTCU-UHFFFAOYSA-N
XLogP-0.07
TPSA141.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide
CID 19612558
3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]propanamide;oxalic acid
CID 67877540
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentoxy]-1,2,5-thiadiazole
CID 11734201
disodium;3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(6,6,6-trifluorohexoxy)-1,2,5-thiadiazole;oxalate
CID 172689932
3-(2-benzylsulfanylethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
CID 19612561
3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one
CID 131719563
6-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-2-oxa-6-azaspiro[3.3]heptane
CID 178142899
3-(cyclopropylmethyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;oxalic acid
CID 162319253
N-[2-[[4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide
CID 54115858
3-(2-ethylbutylsulfanyl)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;oxalic acid
CID 19075530
3-(3,3,4,4,5,5-hexadeuteriohexoxy)-4-[1-(trideuteriomethyl)-3,6-dihydro-2H-pyridin-5-yl]-1,2,5-thiadiazole
CID 164761812
3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
CID 18920345

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid?
The IUPAC name of N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid (CID 19612557) is N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid.
What is the SMILES notation for N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid?
The canonical SMILES for N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid is CC(=O)NCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid?
The InChIKey is UMGOVTIEMHZTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S.C2H2O4/c1-9(17)13-5-7-18-12-11(14-19-15-12)10-4-3-6-16(2)8-10;3-1(4)2(5)6/h4H,3,5-8H2,1-2H3,(H,13,17);(H,3,4)(H,5,6).
What are the key properties of N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid?
N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid has a molecular weight of 372.40 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide;oxalic acid is sourced from PubChem (CID 19612557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).