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

C7H9F3N4OS — CID 107304723

IUPACN-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c1-4(15)11-2-3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyJBIIXGPJLFDQAZ-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.10
Rot. Bonds4

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

N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide (PubChem CID 107304723) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
PubChem CID107304723
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC NameN-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c1-4(15)11-2-3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyJBIIXGPJLFDQAZ-UHFFFAOYSA-N
XLogP1.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.10
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-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide (CID 107304723) is N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide?
The InChIKey is JBIIXGPJLFDQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-4(15)11-2-3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide?
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide has a molecular weight of 254.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide is sourced from PubChem (CID 107304723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).