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

C12H8F5N3OS — CID 135154813

IUPAC4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCN(C(=O)c1snnc1C(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F5N3OS/c1-20(7-4-2-3-6(5-7)12(15,16)17)11(21)9-8(10(13)14)18-19-22-9/h2-5,10H,1H3
InChIKeyKMSCRNURJPEQKA-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.77
Rot. Bonds3

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

4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 135154813) has the molecular formula C12H8F5N3OS and a molecular weight of 337.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID135154813
Molecular FormulaC12H8F5N3OS
Molecular Weight337.27 g/mol
Exact Mass337.03
IUPAC Name4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCN(C(=O)c1snnc1C(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F5N3OS/c1-20(7-4-2-3-6(5-7)12(15,16)17)11(21)9-8(10(13)14)18-19-22-9/h2-5,10H,1H3
InChIKeyKMSCRNURJPEQKA-UHFFFAOYSA-N
XLogP3.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (CID 135154813) is 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is CN(C(=O)c1snnc1C(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is KMSCRNURJPEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5N3OS/c1-20(7-4-2-3-6(5-7)12(15,16)17)11(21)9-8(10(13)14)18-19-22-9/h2-5,10H,1H3.
What are the key properties of 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 337.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-methyl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 135154813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).