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

C11H9F3N4O2S — CID 31951334

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C11H9F3N4O2S/c1-6-16-17-10(21-6)15-8(19)5-18-4-2-3-7(9(18)20)11(12,13)14/h2-4H,5H2,1H3,(H,15,17,19)
InChIKeyKAYCBHUXUBGILL-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.67
Rot. Bonds3

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 31951334) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID31951334
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C11H9F3N4O2S/c1-6-16-17-10(21-6)15-8(19)5-18-4-2-3-7(9(18)20)11(12,13)14/h2-4H,5H2,1H3,(H,15,17,19)
InChIKeyKAYCBHUXUBGILL-UHFFFAOYSA-N
XLogP1.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 31951334) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1nnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KAYCBHUXUBGILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c1-6-16-17-10(21-6)15-8(19)5-18-4-2-3-7(9(18)20)11(12,13)14/h2-4H,5H2,1H3,(H,15,17,19).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 318.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 31951334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).