4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide

C12H7F6N3OS — CID 135153522

IUPAC4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide
SMILESCN(C(=O)c1snnc1C(F)F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H7F6N3OS/c1-21(11(22)9-8(10(14)15)19-20-23-9)7-4-5(12(16,17)18)2-3-6(7)13/h2-4,10H,1H3
InChIKeyWJYIFUVKLXOFAW-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.91
Rot. Bonds3

About 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide

4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide (PubChem CID 135153522) has the molecular formula C12H7F6N3OS and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide
PubChem CID135153522
Molecular FormulaC12H7F6N3OS
Molecular Weight355.26 g/mol
Exact Mass355.02
IUPAC Name4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide
SMILESCN(C(=O)c1snnc1C(F)F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H7F6N3OS/c1-21(11(22)9-8(10(14)15)19-20-23-9)7-4-5(12(16,17)18)2-3-6(7)13/h2-4,10H,1H3
InChIKeyWJYIFUVKLXOFAW-UHFFFAOYSA-N
XLogP3.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide (CID 135153522) is 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide is CN(C(=O)c1snnc1C(F)F)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide?
The InChIKey is WJYIFUVKLXOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3OS/c1-21(11(22)9-8(10(14)15)19-20-23-9)7-4-5(12(16,17)18)2-3-6(7)13/h2-4,10H,1H3.
What are the key properties of 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide?
4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 135153522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).