2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide

C14H13F4N3O2S — CID 142634574

IUPAC2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)N(C(=O)COc1nnc(CF)s1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H13F4N3O2S/c1-7(2)21(9-4-3-8(16)12(17)13(9)18)11(22)6-23-14-20-19-10(5-15)24-14/h3-4,7H,5-6H2,1-2H3
InChIKeyDPUZZARXDSAABX-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.25
Rot. Bonds6

About 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide

2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 142634574) has the molecular formula C14H13F4N3O2S and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID142634574
Molecular FormulaC14H13F4N3O2S
Molecular Weight363.34 g/mol
Exact Mass363.07
IUPAC Name2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)N(C(=O)COc1nnc(CF)s1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H13F4N3O2S/c1-7(2)21(9-4-3-8(16)12(17)13(9)18)11(22)6-23-14-20-19-10(5-15)24-14/h3-4,7H,5-6H2,1-2H3
InChIKeyDPUZZARXDSAABX-UHFFFAOYSA-N
XLogP3.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide 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 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide (CID 142634574) is 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide is CC(C)N(C(=O)COc1nnc(CF)s1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is DPUZZARXDSAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O2S/c1-7(2)21(9-4-3-8(16)12(17)13(9)18)11(22)6-23-14-20-19-10(5-15)24-14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide?
2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 363.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-propan-2-yl-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 142634574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).