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

C11H5ClF5N3OS — CID 142383513

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1snnc1C(F)F
InChIInChI=1S/C11H5ClF5N3OS/c12-4-1-2-6(5(3-4)11(15,16)17)18-10(21)8-7(9(13)14)19-20-22-8/h1-3,9H,(H,18,21)
InChIKeyJYOFGBNYNLOHDN-UHFFFAOYSA-N
MW357.69 g/mol
LogP4.40
Rot. Bonds3

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide (PubChem CID 142383513) has the molecular formula C11H5ClF5N3OS and a molecular weight of 357.69 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide
PubChem CID142383513
Molecular FormulaC11H5ClF5N3OS
Molecular Weight357.69 g/mol
Exact Mass356.98
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1snnc1C(F)F
InChIInChI=1S/C11H5ClF5N3OS/c12-4-1-2-6(5(3-4)11(15,16)17)18-10(21)8-7(9(13)14)19-20-22-8/h1-3,9H,(H,18,21)
InChIKeyJYOFGBNYNLOHDN-UHFFFAOYSA-N
XLogP4.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.69
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide (CID 142383513) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1snnc1C(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide?
The InChIKey is JYOFGBNYNLOHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF5N3OS/c12-4-1-2-6(5(3-4)11(15,16)17)18-10(21)8-7(9(13)14)19-20-22-8/h1-3,9H,(H,18,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide has a molecular weight of 357.69 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 142383513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).