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

C12H11F3N4O2S — CID 31821834

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C12H11F3N4O2S/c1-2-9-17-18-11(22-9)16-8(20)6-19-5-3-4-7(10(19)21)12(13,14)15/h3-5H,2,6H2,1H3,(H,16,18,20)
InChIKeyRIWQYMPKJLGCBD-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.92
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 31821834) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID31821834
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C12H11F3N4O2S/c1-2-9-17-18-11(22-9)16-8(20)6-19-5-3-4-7(10(19)21)12(13,14)15/h3-5H,2,6H2,1H3,(H,16,18,20)
InChIKeyRIWQYMPKJLGCBD-UHFFFAOYSA-N
XLogP1.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 31821834) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CCc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is RIWQYMPKJLGCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S/c1-2-9-17-18-11(22-9)16-8(20)6-19-5-3-4-7(10(19)21)12(13,14)15/h3-5H,2,6H2,1H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 332.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 31821834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).