4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide

C11H9F3N4O2S — CID 166307604

IUPAC4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C11H9F3N4O2S/c1-5-8(21-17-16-5)9(19)15-7-3-6(11(12,13)14)4-18(2)10(7)20/h3-4H,1-2H3,(H,15,19)
InChIKeyZVVUILZBVVWYHT-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.82
Rot. Bonds2

About 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide

4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide (PubChem CID 166307604) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide
PubChem CID166307604
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C11H9F3N4O2S/c1-5-8(21-17-16-5)9(19)15-7-3-6(11(12,13)14)4-18(2)10(7)20/h3-4H,1-2H3,(H,15,19)
InChIKeyZVVUILZBVVWYHT-UHFFFAOYSA-N
XLogP1.82
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide (CID 166307604) is 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(C(F)(F)F)cn(C)c1=O.
What is the InChIKey of 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide?
The InChIKey is ZVVUILZBVVWYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c1-5-8(21-17-16-5)9(19)15-7-3-6(11(12,13)14)4-18(2)10(7)20/h3-4H,1-2H3,(H,15,19).
What are the key properties of 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide?
4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 166307604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).