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

C10H6F3N3OS — CID 17013763

IUPACN-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1csnn1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)6-3-1-2-4-7(6)14-9(17)8-5-18-16-15-8/h1-5H,(H,14,17)
InChIKeyTVRMFPGSOQNPMP-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.81
Rot. Bonds2

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

N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (PubChem CID 17013763) has the molecular formula C10H6F3N3OS and a molecular weight of 273.24 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
PubChem CID17013763
Molecular FormulaC10H6F3N3OS
Molecular Weight273.24 g/mol
Exact Mass273.02
IUPAC NameN-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1csnn1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)6-3-1-2-4-7(6)14-9(17)8-5-18-16-15-8/h1-5H,(H,14,17)
InChIKeyTVRMFPGSOQNPMP-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (CID 17013763) is N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1csnn1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The InChIKey is TVRMFPGSOQNPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3OS/c11-10(12,13)6-3-1-2-4-7(6)14-9(17)8-5-18-16-15-8/h1-5H,(H,14,17).
What are the key properties of N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide has a molecular weight of 273.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 17013763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).