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

C5H5F3N4OS — CID 130762953

IUPAC5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
SMILESNc1snnc1C(=O)NCC(F)(F)F
InChIInChI=1S/C5H5F3N4OS/c6-5(7,8)1-10-4(13)2-3(9)14-12-11-2/h1,9H2,(H,10,13)
InChIKeyQTXLYAJDENUEJW-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.41
Rot. Bonds2

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

5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide (PubChem CID 130762953) has the molecular formula C5H5F3N4OS and a molecular weight of 226.18 g/mol. Its IUPAC name is 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
PubChem CID130762953
Molecular FormulaC5H5F3N4OS
Molecular Weight226.18 g/mol
Exact Mass226.01
IUPAC Name5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
SMILESNc1snnc1C(=O)NCC(F)(F)F
InChIInChI=1S/C5H5F3N4OS/c6-5(7,8)1-10-4(13)2-3(9)14-12-11-2/h1,9H2,(H,10,13)
InChIKeyQTXLYAJDENUEJW-UHFFFAOYSA-N
XLogP0.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide (CID 130762953) is 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide is Nc1snnc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide?
The InChIKey is QTXLYAJDENUEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4OS/c6-5(7,8)1-10-4(13)2-3(9)14-12-11-2/h1,9H2,(H,10,13).
What are the key properties of 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide?
5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide has a molecular weight of 226.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 130762953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).