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

C18H18FN5S — CID 133451670

IUPAC5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccccc1Cc1nnc(NC2CCN(c3ccccn3)C2)s1
InChIInChI=1S/C18H18FN5S/c19-15-6-2-1-5-13(15)11-17-22-23-18(25-17)21-14-8-10-24(12-14)16-7-3-4-9-20-16/h1-7,9,14H,8,10-12H2,(H,21,23)
InChIKeyHFUMKMINJVPMKH-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.35
Rot. Bonds5

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

5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 133451670) has the molecular formula C18H18FN5S and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID133451670
Molecular FormulaC18H18FN5S
Molecular Weight355.44 g/mol
Exact Mass355.13
IUPAC Name5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccccc1Cc1nnc(NC2CCN(c3ccccn3)C2)s1
InChIInChI=1S/C18H18FN5S/c19-15-6-2-1-5-13(15)11-17-22-23-18(25-17)21-14-8-10-24(12-14)16-7-3-4-9-20-16/h1-7,9,14H,8,10-12H2,(H,21,23)
InChIKeyHFUMKMINJVPMKH-UHFFFAOYSA-N
XLogP3.35
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
N-(2,2-dimethyloxan-4-yl)-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133451729
1-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122079760
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 111109533
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133451401
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine (CID 133451670) is 5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine is Fc1ccccc1Cc1nnc(NC2CCN(c3ccccn3)C2)s1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HFUMKMINJVPMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5S/c19-15-6-2-1-5-13(15)11-17-22-23-18(25-17)21-14-8-10-24(12-14)16-7-3-4-9-20-16/h1-7,9,14H,8,10-12H2,(H,21,23).
What are the key properties of 5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine?
5-[(2-fluorophenyl)methyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 355.44 g/mol, XLogP of 3.35, 5 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-(1-pyridin-2-ylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133451670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).