5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole

C10H13BrF3N3S — CID 107306108

IUPAC5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CCCCC2CCBr)n1
InChIInChI=1S/C10H13BrF3N3S/c11-5-4-7-3-1-2-6-17(7)9-15-8(16-18-9)10(12,13)14/h7H,1-6H2
InChIKeyVRUIDLYURWDXRR-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.70
Rot. Bonds3

About 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole

5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107306108) has the molecular formula C10H13BrF3N3S and a molecular weight of 344.20 g/mol. Its IUPAC name is 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107306108
Molecular FormulaC10H13BrF3N3S
Molecular Weight344.20 g/mol
Exact Mass343.00
IUPAC Name5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CCCCC2CCBr)n1
InChIInChI=1S/C10H13BrF3N3S/c11-5-4-7-3-1-2-6-17(7)9-15-8(16-18-9)10(12,13)14/h7H,1-6H2
InChIKeyVRUIDLYURWDXRR-UHFFFAOYSA-N
XLogP3.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306109
N-(2-bromoethyl)-N-cyclopropyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306112
5-[2-(Bromomethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306114
5-[4-(Bromomethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306117
N-(2-bromoethyl)-N-butyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306118
N-(2-bromoethyl)-N-cyclohexyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306120
5-[2-(Bromomethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306122
5-(3-Bromopiperidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306124
5-[3-(Bromomethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306126
4-Bromo-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 107306131
N-(3-bromopropyl)-N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306133
N-(2-bromoethyl)-N-pentan-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306137

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107306108) is 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(N2CCCCC2CCBr)n1.
What is the InChIKey of 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is VRUIDLYURWDXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3S/c11-5-4-7-3-1-2-6-17(7)9-15-8(16-18-9)10(12,13)14/h7H,1-6H2.
What are the key properties of 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 344.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bromoethyl)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107306108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).