5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

C7H9F3N4OS — CID 80614878

IUPAC5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nnc(N)s1
InChIInChI=1S/C7H9F3N4OS/c1-2-14(3-7(8,9)10)5(15)4-12-13-6(11)16-4/h2-3H2,1H3,(H2,11,13)
InChIKeyJZIOCOAJXLGMMX-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.14
Rot. Bonds3

About 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614878) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614878
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nnc(N)s1
InChIInChI=1S/C7H9F3N4OS/c1-2-14(3-7(8,9)10)5(15)4-12-13-6(11)16-4/h2-3H2,1H3,(H2,11,13)
InChIKeyJZIOCOAJXLGMMX-UHFFFAOYSA-N
XLogP1.14
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80614878) is 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCN(CC(F)(F)F)C(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JZIOCOAJXLGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-2-14(3-7(8,9)10)5(15)4-12-13-6(11)16-4/h2-3H2,1H3,(H2,11,13).
What are the key properties of 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).