5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

C8H9ClF3N3OS — CID 80625468

IUPAC5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H9ClF3N3OS/c1-2-3-15(4-8(10,11)12)6(16)5-13-14-7(9)17-5/h2-4H2,1H3
InChIKeyLFHCCQVWSKWJCY-UHFFFAOYSA-N
MW287.69 g/mol
LogP2.61
Rot. Bonds4

About 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625468) has the molecular formula C8H9ClF3N3OS and a molecular weight of 287.69 g/mol. Its IUPAC name is 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625468
Molecular FormulaC8H9ClF3N3OS
Molecular Weight287.69 g/mol
Exact Mass287.01
IUPAC Name5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H9ClF3N3OS/c1-2-3-15(4-8(10,11)12)6(16)5-13-14-7(9)17-5/h2-4H2,1H3
InChIKeyLFHCCQVWSKWJCY-UHFFFAOYSA-N
XLogP2.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.69
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-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-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80625468) is 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCCN(CC(F)(F)F)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LFHCCQVWSKWJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3OS/c1-2-3-15(4-8(10,11)12)6(16)5-13-14-7(9)17-5/h2-4H2,1H3.
What are the key properties of 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 287.69 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).