5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine

C15H19FN4O2S2 — CID 133451656

IUPAC5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)N1CCC[C@@H]1CNc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C15H19FN4O2S2/c1-24(21,22)20-8-4-6-12(20)10-17-15-19-18-14(23-15)9-11-5-2-3-7-13(11)16/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyJYVUPSOHDODUIY-GFCCVEGCSA-N
MW370.48 g/mol
LogP2.10
Rot. Bonds6

About 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine

5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133451656) has the molecular formula C15H19FN4O2S2 and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133451656
Molecular FormulaC15H19FN4O2S2
Molecular Weight370.48 g/mol
Exact Mass370.09
IUPAC Name5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)N1CCC[C@@H]1CNc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C15H19FN4O2S2/c1-24(21,22)20-8-4-6-12(20)10-17-15-19-18-14(23-15)9-11-5-2-3-7-13(11)16/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyJYVUPSOHDODUIY-GFCCVEGCSA-N
XLogP2.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 111109533
1-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122079760
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119648906
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119319932
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 18141586
5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 133451670
tert-butyl (2R)-2-[[(2-fluorophenyl)methylsulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 97172828
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926390
N-(2,2-dimethyloxan-4-yl)-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133451729

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 133451656) is 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine is CS(=O)(=O)N1CCC[C@@H]1CNc1nnc(Cc2ccccc2F)s1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JYVUPSOHDODUIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN4O2S2/c1-24(21,22)20-8-4-6-12(20)10-17-15-19-18-14(23-15)9-11-5-2-3-7-13(11)16/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 370.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133451656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).