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

C11H8F3N3OS — CID 850235

IUPAC4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N3OS/c1-6-9(19-17-16-6)10(18)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H,15,18)
InChIKeySOCBILRTWFKTBQ-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.12
Rot. Bonds2

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

4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 850235) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID850235
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N3OS/c1-6-9(19-17-16-6)10(18)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H,15,18)
InChIKeySOCBILRTWFKTBQ-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.12
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-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (CID 850235) is 4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is SOCBILRTWFKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c1-6-9(19-17-16-6)10(18)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H,15,18).
What are the key properties of 4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 3.12, 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-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 850235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).