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

C8H12FN3S — CID 126787286

IUPAC2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCC2CF)s1
InChIInChI=1S/C8H12FN3S/c1-6-10-11-8(13-6)12-4-2-3-7(12)5-9/h7H,2-5H2,1H3
InChIKeyDDIJXBLFAGIUDI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.78
Rot. Bonds2

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

2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 126787286) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID126787286
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCC2CF)s1
InChIInChI=1S/C8H12FN3S/c1-6-10-11-8(13-6)12-4-2-3-7(12)5-9/h7H,2-5H2,1H3
InChIKeyDDIJXBLFAGIUDI-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Pyrrolidinyl)-5-trifluoromethyl-1,3,4-thiadi-azole
CID 86234257
2-(Difluoromethyl)-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole
CID 71848646
N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 164633838
2-Ethyl-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole
CID 154700595
2-[2-(Bromomethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450318
2-(4,4-Difluoropiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 121199094
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 122269215
2-(3-Fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 126989358
2-(3,3-Difluoropyrrolidin-1-yl)-5-(propan-2-yl)-1,3,4-thiadiazole
CID 127749765
2-(2-Methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 127922038
2-(2,3-Dimethylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 127922068
2-(2,5-Dimethylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 127922119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 126787286) is 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCCC2CF)s1.
What is the InChIKey of 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is DDIJXBLFAGIUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-6-10-11-8(13-6)12-4-2-3-7(12)5-9/h7H,2-5H2,1H3.
What are the key properties of 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 201.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126787286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).