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

C8H12FN3S — CID 125143605

IUPAC5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC[C@@H]2CF)n1
InChIInChI=1S/C8H12FN3S/c1-6-10-8(13-11-6)12-4-2-3-7(12)5-9/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyMUJCGRMXDYURJY-SSDOTTSWSA-N
MW201.27 g/mol
LogP1.78
Rot. Bonds2

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

5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 125143605) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID125143605
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC[C@@H]2CF)n1
InChIInChI=1S/C8H12FN3S/c1-6-10-8(13-11-6)12-4-2-3-7(12)5-9/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyMUJCGRMXDYURJY-SSDOTTSWSA-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

N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 154736702
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
CID 65267660
[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
CID 65272964
5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol
CID 133430157
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 133424929
5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 131014603
2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926154
5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole
CID 130617041
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 125143605) is 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCC[C@@H]2CF)n1.
What is the InChIKey of 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is MUJCGRMXDYURJY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-6-10-8(13-11-6)12-4-2-3-7(12)5-9/h7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-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 5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 125143605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).