4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

C7H8F3N3OS — CID 51073960

IUPAC4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3OS/c1-2-4-5(15-13-12-4)6(14)11-3-7(8,9)10/h2-3H2,1H3,(H,11,14)
InChIKeyYLGLMWMZUKJTLW-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.39
Rot. Bonds3

About 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (PubChem CID 51073960) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
PubChem CID51073960
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3OS/c1-2-4-5(15-13-12-4)6(14)11-3-7(8,9)10/h2-3H2,1H3,(H,11,14)
InChIKeyYLGLMWMZUKJTLW-UHFFFAOYSA-N
XLogP1.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (CID 51073960) is 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is YLGLMWMZUKJTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-2-4-5(15-13-12-4)6(14)11-3-7(8,9)10/h2-3H2,1H3,(H,11,14).
What are the key properties of 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 239.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 51073960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).