2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide

C9H16N4O2S — CID 106239169

IUPAC2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
SMILESCCCc1nsc(NCCOCC(N)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-2-3-8-12-9(16-13-8)11-4-5-15-6-7(10)14/h2-6H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyPZIYGQHWRJGPCB-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.40
Rot. Bonds8

About 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide

2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide (PubChem CID 106239169) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
PubChem CID106239169
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
SMILESCCCc1nsc(NCCOCC(N)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-2-3-8-12-9(16-13-8)11-4-5-15-6-7(10)14/h2-6H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyPZIYGQHWRJGPCB-UHFFFAOYSA-N
XLogP0.40
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.40
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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Related Compounds

2-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
CID 106241467
N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271676
2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241808
2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65277150
N,N-dimethyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65271389
2-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 106108351
N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276170
4-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzoic acid
CID 65273614
2-amino-N-(3-propyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130736061
N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277932

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide (CID 106239169) is 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide is CCCc1nsc(NCCOCC(N)=O)n1.
What is the InChIKey of 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide?
The InChIKey is PZIYGQHWRJGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-3-8-12-9(16-13-8)11-4-5-15-6-7(10)14/h2-6H2,1H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide?
2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide has a molecular weight of 244.32 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).