N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

C13H18F3N3O2S — CID 71796137

IUPACN-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C13H18F3N3O2S/c1-2-3-10-11(22-18-17-10)12(20)19(8-13(14,15)16)9-4-6-21-7-5-9/h9H,2-8H2,1H3
InChIKeyOPGUUKQACDUVHZ-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.67
Rot. Bonds5

About N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (PubChem CID 71796137) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
PubChem CID71796137
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC NameN-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C13H18F3N3O2S/c1-2-3-10-11(22-18-17-10)12(20)19(8-13(14,15)16)9-4-6-21-7-5-9/h9H,2-8H2,1H3
InChIKeyOPGUUKQACDUVHZ-UHFFFAOYSA-N
XLogP2.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-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-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (CID 71796137) is N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is OPGUUKQACDUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-2-3-10-11(22-18-17-10)12(20)19(8-13(14,15)16)9-4-6-21-7-5-9/h9H,2-8H2,1H3.
What are the key properties of N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 71796137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).