3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole

C6H6ClF2N3S — CID 162778546

IUPAC3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole
SMILESFC1(F)CCN(c2nc(Cl)ns2)C1
InChIInChI=1S/C6H6ClF2N3S/c7-4-10-5(13-11-4)12-2-1-6(8,9)3-12/h1-3H2
InChIKeyRCTCGSXQRHZELA-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.04
Rot. Bonds1

About 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole

3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole (PubChem CID 162778546) has the molecular formula C6H6ClF2N3S and a molecular weight of 225.65 g/mol. Its IUPAC name is 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole
PubChem CID162778546
Molecular FormulaC6H6ClF2N3S
Molecular Weight225.65 g/mol
Exact Mass224.99
IUPAC Name3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole
SMILESFC1(F)CCN(c2nc(Cl)ns2)C1
InChIInChI=1S/C6H6ClF2N3S/c7-4-10-5(13-11-4)12-2-1-6(8,9)3-12/h1-3H2
InChIKeyRCTCGSXQRHZELA-UHFFFAOYSA-N
XLogP2.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole (CID 162778546) is 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole is FC1(F)CCN(c2nc(Cl)ns2)C1.
What is the InChIKey of 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is RCTCGSXQRHZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2N3S/c7-4-10-5(13-11-4)12-2-1-6(8,9)3-12/h1-3H2.
What are the key properties of 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole?
3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 225.65 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 162778546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).