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

C9H16N4OS — CID 65271676

IUPACN-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
SMILESCCCc1nsc(NCCNC(C)=O)n1
InChIInChI=1S/C9H16N4OS/c1-3-4-8-12-9(15-13-8)11-6-5-10-7(2)14/h3-6H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyRFEIJCLBTMUQLT-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.04
Rot. Bonds6

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

N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide (PubChem CID 65271676) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
PubChem CID65271676
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
SMILESCCCc1nsc(NCCNC(C)=O)n1
InChIInChI=1S/C9H16N4OS/c1-3-4-8-12-9(15-13-8)11-6-5-10-7(2)14/h3-6H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyRFEIJCLBTMUQLT-UHFFFAOYSA-N
XLogP1.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide (CID 65271676) is N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide is CCCc1nsc(NCCNC(C)=O)n1.
What is the InChIKey of N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide?
The InChIKey is RFEIJCLBTMUQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-4-8-12-9(15-13-8)11-6-5-10-7(2)14/h3-6H2,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide?
N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide has a molecular weight of 228.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide is sourced from PubChem (CID 65271676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).