4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

C12H10F3N3OS — CID 136535933

IUPAC4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2snnc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3OS/c1-6-3-8(12(13,14)15)5-9(4-6)16-11(19)10-7(2)17-18-20-10/h3-5H,1-2H3,(H,16,19)
InChIKeyDEIQVDFNNUVCSS-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.43
Rot. Bonds2

About 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 136535933) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID136535933
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2snnc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3OS/c1-6-3-8(12(13,14)15)5-9(4-6)16-11(19)10-7(2)17-18-20-10/h3-5H,1-2H3,(H,16,19)
InChIKeyDEIQVDFNNUVCSS-UHFFFAOYSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (CID 136535933) is 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is Cc1cc(NC(=O)c2snnc2C)cc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is DEIQVDFNNUVCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-6-3-8(12(13,14)15)5-9(4-6)16-11(19)10-7(2)17-18-20-10/h3-5H,1-2H3,(H,16,19).
What are the key properties of 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 136535933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).