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

C11H12N4O2S — CID 139979245

IUPACN-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nsnc1-c1cccnc1
InChIInChI=1S/C11H12N4O2S/c1-8(16)13-5-6-17-11-10(14-18-15-11)9-3-2-4-12-7-9/h2-4,7H,5-6H2,1H3,(H,13,16)
InChIKeyACGHFXRLSPZVDN-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.12
Rot. Bonds5

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

N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide (PubChem CID 139979245) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide
PubChem CID139979245
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nsnc1-c1cccnc1
InChIInChI=1S/C11H12N4O2S/c1-8(16)13-5-6-17-11-10(14-18-15-11)9-3-2-4-12-7-9/h2-4,7H,5-6H2,1H3,(H,13,16)
InChIKeyACGHFXRLSPZVDN-UHFFFAOYSA-N
XLogP1.12
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-3-yl-4-[2-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethoxy]ethoxy]-1,2,5-thiadiazole
CID 10928093
3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 174364537
3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
CID 158191583
3-[(E)-hex-4-enoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075354
3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19612613
3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075239
1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
CID 174401992
N-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]acetamide
CID 19612558
3-but-1-enoxy-4-pyridin-3-yl-1,2,5-thiadiazole
CID 139697051
3-pyridin-3-yl-4-(6,6,6-trifluorohexan-3-yloxy)-1,2,5-thiadiazole
CID 57128366
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166193213

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide?
The IUPAC name of N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide (CID 139979245) is N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide is CC(=O)NCCOc1nsnc1-c1cccnc1.
What is the InChIKey of N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide?
The InChIKey is ACGHFXRLSPZVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8(16)13-5-6-17-11-10(14-18-15-11)9-3-2-4-12-7-9/h2-4,7H,5-6H2,1H3,(H,13,16).
What are the key properties of N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide?
N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 139979245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).