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

C7H9F2N3S — CID 126990337

IUPAC5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C7H9F2N3S/c1-5-10-6(13-11-5)12-3-2-7(8,9)4-12/h2-4H2,1H3
InChIKeyYHJNCPNUPHCEIY-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.69
Rot. Bonds1

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

5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 126990337) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID126990337
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC Name5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C7H9F2N3S/c1-5-10-6(13-11-5)12-3-2-7(8,9)4-12/h2-4H2,1H3
InChIKeyYHJNCPNUPHCEIY-UHFFFAOYSA-N
XLogP1.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 129349481
5-(3,3-Difluoropyrrolidin-1-yl)-3-methylchloranuidyl-1,2,4-thiadiazole
CID 163923903
N,N-dimethyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959824
[3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 105554549
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanenitrile
CID 107304504
5-(3-Chloropyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306055
5-(3-Bromopyrrolidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306116
N-(2-bromoethyl)-N-butyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306118
N-(2-bromoethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306128
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 107489368
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 107489641
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107489711

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole (CID 126990337) is 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCC(F)(F)C2)n1.
What is the InChIKey of 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is YHJNCPNUPHCEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c1-5-10-6(13-11-5)12-3-2-7(8,9)4-12/h2-4H2,1H3.
What are the key properties of 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 205.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 126990337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).