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

C8H12FN3S — CID 126989358

IUPAC2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(C)(F)C2)s1
InChIInChI=1S/C8H12FN3S/c1-6-10-11-7(13-6)12-4-3-8(2,9)5-12/h3-5H2,1-2H3
InChIKeyOMAKZGRNCWYGCA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.78
Rot. Bonds1

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

2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 126989358) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID126989358
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(C)(F)C2)s1
InChIInChI=1S/C8H12FN3S/c1-6-10-11-7(13-6)12-4-3-8(2,9)5-12/h3-5H2,1-2H3
InChIKeyOMAKZGRNCWYGCA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole (CID 126989358) is 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCC(C)(F)C2)s1.
What is the InChIKey of 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is OMAKZGRNCWYGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-6-10-11-7(13-6)12-4-3-8(2,9)5-12/h3-5H2,1-2H3.
What are the key properties of 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-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 2-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126989358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).