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

C7H8F3N3O2S — CID 81343431

IUPAC4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-2-4-5(16-13-11-4)6(14)12-15-3-7(8,9)10/h2-3H2,1H3,(H,12,14)
InChIKeyFDEVAPFHPHNFGO-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.32
Rot. Bonds4

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

4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (PubChem CID 81343431) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
PubChem CID81343431
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-2-4-5(16-13-11-4)6(14)12-15-3-7(8,9)10/h2-3H2,1H3,(H,12,14)
InChIKeyFDEVAPFHPHNFGO-UHFFFAOYSA-N
XLogP1.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (CID 81343431) is 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The InChIKey is FDEVAPFHPHNFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c1-2-4-5(16-13-11-4)6(14)12-15-3-7(8,9)10/h2-3H2,1H3,(H,12,14).
What are the key properties of 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide has a molecular weight of 255.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 81343431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).