4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

C11H8F3N3OS — CID 7293419

IUPAC4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3OS/c1-6-9(19-17-16-6)10(18)15-8-5-3-2-4-7(8)11(12,13)14/h2-5H,1H3,(H,15,18)
InChIKeyHZPDHUVNDOIAKZ-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.12
Rot. Bonds2

About 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 7293419) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID7293419
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3N3OS/c1-6-9(19-17-16-6)10(18)15-8-5-3-2-4-7(8)11(12,13)14/h2-5H,1H3,(H,15,18)
InChIKeyHZPDHUVNDOIAKZ-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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Related Compounds

Tiadinil
CID 2804318
N-(4-methylphenyl)-2-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-1-hydrazinecarboxamide
CID 1472456
N'-(2-ethylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811990
4-methyl-N-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 728526
4-methyl-N-(1-phenylethyl)-1,2,3-thiadiazole-5-carboxamide
CID 6916146
N-(3-chloro-2-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850800
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,3-thiadiazole-5-carboxamide
CID 850235
N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 6917368
N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 2804290
4-methyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]thiadiazole-5-carboxamide
CID 2804307
4-Methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]-1,2,3-thiadiazole-5-carboxamide
CID 7293443
N-(4-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 850832

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (CID 7293419) is 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is HZPDHUVNDOIAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c1-6-9(19-17-16-6)10(18)15-8-5-3-2-4-7(8)11(12,13)14/h2-5H,1H3,(H,15,18).
What are the key properties of 4-methyl-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-(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-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 7293419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).