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

C15H17F3N4O2S — CID 31955236

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C15H17F3N4O2S/c1-3-9(4-2)12-20-21-14(25-12)19-11(23)8-22-7-5-6-10(13(22)24)15(16,17)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,21,23)
InChIKeyXODNLOPQUZCNLF-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.26
Rot. Bonds6

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

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 31955236) 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-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID31955236
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C15H17F3N4O2S/c1-3-9(4-2)12-20-21-14(25-12)19-11(23)8-22-7-5-6-10(13(22)24)15(16,17)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,21,23)
InChIKeyXODNLOPQUZCNLF-UHFFFAOYSA-N
XLogP3.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 31955236) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XODNLOPQUZCNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-3-9(4-2)12-20-21-14(25-12)19-11(23)8-22-7-5-6-10(13(22)24)15(16,17)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,21,23).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 374.39 g/mol, XLogP of 3.26, 6 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-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 31955236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).