5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole

C8H12FN3S — CID 131086179

IUPAC5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(C)(F)C2)n1
InChIInChI=1S/C8H12FN3S/c1-6-10-7(13-11-6)12-4-3-8(2,9)5-12/h3-5H2,1-2H3
InChIKeyDTJHTFBKWIILFT-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.78
Rot. Bonds1

About 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole

5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 131086179) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID131086179
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(C)(F)C2)n1
InChIInChI=1S/C8H12FN3S/c1-6-10-7(13-11-6)12-4-3-8(2,9)5-12/h3-5H2,1-2H3
InChIKeyDTJHTFBKWIILFT-UHFFFAOYSA-N
XLogP1.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-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 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole (CID 131086179) is 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCC(C)(F)C2)n1.
What is the InChIKey of 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is DTJHTFBKWIILFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-6-10-7(13-11-6)12-4-3-8(2,9)5-12/h3-5H2,1-2H3.
What are the key properties of 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 201.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 131086179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).