4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride

C12H19ClF3N5OS — CID 120813396

IUPAC4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C12H18F3N5OS.ClH/c1-2-8-10(22-19-18-8)11(21)17-7-9(12(13,14)15)20-5-3-16-4-6-20;/h9,16H,2-7H2,1H3,(H,17,21);1H
InChIKeyNKPFNWXNCHKWCL-UHFFFAOYSA-N
MW373.83 g/mol
LogP1.09
Rot. Bonds5

About 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride

4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride (PubChem CID 120813396) has the molecular formula C12H19ClF3N5OS and a molecular weight of 373.83 g/mol. Its IUPAC name is 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
PubChem CID120813396
Molecular FormulaC12H19ClF3N5OS
Molecular Weight373.83 g/mol
Exact Mass373.10
IUPAC Name4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C12H18F3N5OS.ClH/c1-2-8-10(22-19-18-8)11(21)17-7-9(12(13,14)15)20-5-3-16-4-6-20;/h9,16H,2-7H2,1H3,(H,17,21);1H
InChIKeyNKPFNWXNCHKWCL-UHFFFAOYSA-N
XLogP1.09
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride 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 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride (CID 120813396) is 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride is CCc1nnsc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The InChIKey is NKPFNWXNCHKWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5OS.ClH/c1-2-8-10(22-19-18-8)11(21)17-7-9(12(13,14)15)20-5-3-16-4-6-20;/h9,16H,2-7H2,1H3,(H,17,21);1H.
What are the key properties of 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride has a molecular weight of 373.83 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120813396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).