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

C8H11F3N4O2S — CID 114448171

IUPACN-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCOCCNC(=O)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N4O2S/c1-17-3-2-12-5(16)4-13-7-15-14-6(18-7)8(9,10)11/h2-4H2,1H3,(H,12,16)(H,13,15)
InChIKeyLUQXRQIQXDGBRQ-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.73
Rot. Bonds6

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

N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 114448171) has the molecular formula C8H11F3N4O2S and a molecular weight of 284.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID114448171
Molecular FormulaC8H11F3N4O2S
Molecular Weight284.26 g/mol
Exact Mass284.06
IUPAC NameN-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCOCCNC(=O)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N4O2S/c1-17-3-2-12-5(16)4-13-7-15-14-6(18-7)8(9,10)11/h2-4H2,1H3,(H,12,16)(H,13,15)
InChIKeyLUQXRQIQXDGBRQ-UHFFFAOYSA-N
XLogP0.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.73
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 114448171) is N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide is COCCNC(=O)CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is LUQXRQIQXDGBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2S/c1-17-3-2-12-5(16)4-13-7-15-14-6(18-7)8(9,10)11/h2-4H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 284.26 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 114448171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).