2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

C15H17F3N4O2S — CID 31951218

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C15H17F3N4O2S/c1-2-3-4-7-12-20-21-14(25-12)19-11(23)9-22-8-5-6-10(13(22)24)15(16,17)18/h5-6,8H,2-4,7,9H2,1H3,(H,19,21,23)
InChIKeyVUBFHSOBJXNGNI-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.09
Rot. Bonds7

About 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 31951218) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID31951218
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C15H17F3N4O2S/c1-2-3-4-7-12-20-21-14(25-12)19-11(23)9-22-8-5-6-10(13(22)24)15(16,17)18/h5-6,8H,2-4,7,9H2,1H3,(H,19,21,23)
InChIKeyVUBFHSOBJXNGNI-UHFFFAOYSA-N
XLogP3.09
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)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-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (CID 31951218) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VUBFHSOBJXNGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-2-3-4-7-12-20-21-14(25-12)19-11(23)9-22-8-5-6-10(13(22)24)15(16,17)18/h5-6,8H,2-4,7,9H2,1H3,(H,19,21,23).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 374.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 31951218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).