4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide

C14H11F4N3OS — CID 25189479

IUPAC4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1C(F)(F)F)c1snnc1C1CC1
InChIInChI=1S/C14H11F4N3OS/c15-10-3-1-2-9(14(16,17)18)8(10)6-19-13(22)12-11(7-4-5-7)20-21-23-12/h1-3,7H,4-6H2,(H,19,22)
InChIKeyQWRPANJTOCQDBJ-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.50
Rot. Bonds4

About 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide

4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide (PubChem CID 25189479) has the molecular formula C14H11F4N3OS and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide
PubChem CID25189479
Molecular FormulaC14H11F4N3OS
Molecular Weight345.32 g/mol
Exact Mass345.06
IUPAC Name4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1C(F)(F)F)c1snnc1C1CC1
InChIInChI=1S/C14H11F4N3OS/c15-10-3-1-2-9(14(16,17)18)8(10)6-19-13(22)12-11(7-4-5-7)20-21-23-12/h1-3,7H,4-6H2,(H,19,22)
InChIKeyQWRPANJTOCQDBJ-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide (CID 25189479) is 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide is O=C(NCc1c(F)cccc1C(F)(F)F)c1snnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is QWRPANJTOCQDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3OS/c15-10-3-1-2-9(14(16,17)18)8(10)6-19-13(22)12-11(7-4-5-7)20-21-23-12/h1-3,7H,4-6H2,(H,19,22).
What are the key properties of 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide?
4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 25189479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).