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

C9H14N4OS — CID 65271621

IUPACN-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C2CC2)ns1
InChIInChI=1S/C9H14N4OS/c1-6(14)10-4-5-11-9-12-8(13-15-9)7-2-3-7/h7H,2-5H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyFDGGVNRAISAZIW-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.96
Rot. Bonds5

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

N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide (PubChem CID 65271621) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
PubChem CID65271621
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C2CC2)ns1
InChIInChI=1S/C9H14N4OS/c1-6(14)10-4-5-11-9-12-8(13-15-9)7-2-3-7/h7H,2-5H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyFDGGVNRAISAZIW-UHFFFAOYSA-N
XLogP0.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.96
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-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide (CID 65271621) is N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc(C2CC2)ns1.
What is the InChIKey of N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide?
The InChIKey is FDGGVNRAISAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6(14)10-4-5-11-9-12-8(13-15-9)7-2-3-7/h7H,2-5H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide?
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide has a molecular weight of 226.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide is sourced from PubChem (CID 65271621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).