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

C9H13F3N4O2S — CID 107305115

IUPACN-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCOCCNC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4O2S/c1-18-5-4-13-6(17)2-3-14-8-15-7(16-19-8)9(10,11)12/h2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyPKQALOXGSICEBJ-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.12
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107305115) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107305115
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC NameN-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCOCCNC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4O2S/c1-18-5-4-13-6(17)2-3-14-8-15-7(16-19-8)9(10,11)12/h2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyPKQALOXGSICEBJ-UHFFFAOYSA-N
XLogP1.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.12
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

N'-(2-methoxyethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304489
N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304752
N,N-diethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304753
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304879
N-propyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304882
N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305039
N-(2-methoxyethyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305107
1-Morpholin-4-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305111
N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305112
N-tert-butyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305113
N-(2-methylpropyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305114

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107305115) is N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is COCCNC(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is PKQALOXGSICEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-18-5-4-13-6(17)2-3-14-8-15-7(16-19-8)9(10,11)12/h2-5H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 298.29 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107305115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).