2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole

C8H10BrF2N3S — CID 130563621

IUPAC2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(N2CCC(Br)CC2)s1
InChIInChI=1S/C8H10BrF2N3S/c9-5-1-3-14(4-2-5)8-13-12-7(15-8)6(10)11/h5-6H,1-4H2
InChIKeyRNSAFZSVCFWJEQ-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole

2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole (PubChem CID 130563621) has the molecular formula C8H10BrF2N3S and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
PubChem CID130563621
Molecular FormulaC8H10BrF2N3S
Molecular Weight298.16 g/mol
Exact Mass296.97
IUPAC Name2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(N2CCC(Br)CC2)s1
InChIInChI=1S/C8H10BrF2N3S/c9-5-1-3-14(4-2-5)8-13-12-7(15-8)6(10)11/h5-6H,1-4H2
InChIKeyRNSAFZSVCFWJEQ-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole (CID 130563621) is 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole is FC(F)c1nnc(N2CCC(Br)CC2)s1.
What is the InChIKey of 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The InChIKey is RNSAFZSVCFWJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3S/c9-5-1-3-14(4-2-5)8-13-12-7(15-8)6(10)11/h5-6H,1-4H2.
What are the key properties of 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole has a molecular weight of 298.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopiperidin-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130563621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).