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

C9H13F3N4O2S — CID 114449755

IUPACN-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide
SMILESCOCCNC(=O)C(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N4O2S/c1-5(6(17)13-3-4-18-2)14-8-16-15-7(19-8)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyQMIOKSNPLMVLHD-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.12
Rot. Bonds6

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

N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide (PubChem CID 114449755) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide
PubChem CID114449755
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC NameN-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide
SMILESCOCCNC(=O)C(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N4O2S/c1-5(6(17)13-3-4-18-2)14-8-16-15-7(19-8)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyQMIOKSNPLMVLHD-UHFFFAOYSA-N
XLogP1.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide (CID 114449755) is N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide is COCCNC(=O)C(C)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide?
The InChIKey is QMIOKSNPLMVLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-5(6(17)13-3-4-18-2)14-8-16-15-7(19-8)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide?
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide has a molecular weight of 298.29 g/mol, XLogP of 1.12, 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]propanamide is sourced from PubChem (CID 114449755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).