N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C10H11F3N4O2S — CID 154739520

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1nsc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n1
InChIInChI=1S/C10H11F3N4O2S/c1-5-14-9(20-16-5)15-8(19)6-2-7(18)17(3-6)4-10(11,12)13/h6H,2-4H2,1H3,(H,14,15,16,19)
InChIKeySGUBLAUOBWORFT-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.20
Rot. Bonds3

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 154739520) has the molecular formula C10H11F3N4O2S and a molecular weight of 308.29 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID154739520
Molecular FormulaC10H11F3N4O2S
Molecular Weight308.29 g/mol
Exact Mass308.06
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1nsc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n1
InChIInChI=1S/C10H11F3N4O2S/c1-5-14-9(20-16-5)15-8(19)6-2-7(18)17(3-6)4-10(11,12)13/h6H,2-4H2,1H3,(H,14,15,16,19)
InChIKeySGUBLAUOBWORFT-UHFFFAOYSA-N
XLogP1.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-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 N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 154739520) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is Cc1nsc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is SGUBLAUOBWORFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S/c1-5-14-9(20-16-5)15-8(19)6-2-7(18)17(3-6)4-10(11,12)13/h6H,2-4H2,1H3,(H,14,15,16,19).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154739520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).