5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole

C8H12FN3S — CID 171326414

IUPAC5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(CF)C2)n1
InChIInChI=1S/C8H12FN3S/c1-6-10-8(13-11-6)12-3-2-7(4-9)5-12/h7H,2-5H2,1H3
InChIKeyZILYQJXSLADLCP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.64
Rot. Bonds2

About 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 171326414) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID171326414
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(CF)C2)n1
InChIInChI=1S/C8H12FN3S/c1-6-10-8(13-11-6)12-3-2-7(4-9)5-12/h7H,2-5H2,1H3
InChIKeyZILYQJXSLADLCP-UHFFFAOYSA-N
XLogP1.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
CID 14763515
3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
5-[3-(2,2-Difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126794128
3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 129349481
3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
[3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 105554549
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304734
N-[(1-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304737
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 107305313
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 107305342
5-[3-(Chloromethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306061

Frequently Asked Questions

What is the IUPAC name of 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 171326414) is 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCC(CF)C2)n1.
What is the InChIKey of 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is ZILYQJXSLADLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-6-10-8(13-11-6)12-3-2-7(4-9)5-12/h7H,2-5H2,1H3.
What are the key properties of 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 201.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 171326414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).