3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole

C13H14FN3OS — CID 43949497

IUPAC3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESFc1ccccc1COc1nsnc1N1CCCC1
InChIInChI=1S/C13H14FN3OS/c14-11-6-2-1-5-10(11)9-18-13-12(15-19-16-13)17-7-3-4-8-17/h1-2,5-6H,3-4,7-9H2
InChIKeyKEBDCYSNOCGKFR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.86
Rot. Bonds4

About 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole

3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole (PubChem CID 43949497) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
PubChem CID43949497
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESFc1ccccc1COc1nsnc1N1CCCC1
InChIInChI=1S/C13H14FN3OS/c14-11-6-2-1-5-10(11)9-18-13-12(15-19-16-13)17-7-3-4-8-17/h1-2,5-6H,3-4,7-9H2
InChIKeyKEBDCYSNOCGKFR-UHFFFAOYSA-N
XLogP2.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(Benzyloxy)-1,2,5-thiadiazol-3-yl]morpholine
CID 1088923
2-Fluorobenzyl 4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl ether
CID 16643986
3-(Azepan-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949442
3-(Azepan-1-yl)-4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949456
3-(Azepan-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949465
3-(Azepan-1-yl)-4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949468
3-[(4-Fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949474
3-[(2-Chloro-6-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949488
3-[(3-Fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949500
3-[(4-Fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949506
3-[(2-Chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949520
3-[(2-Fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949529

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole (CID 43949497) is 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole is Fc1ccccc1COc1nsnc1N1CCCC1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The InChIKey is KEBDCYSNOCGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c14-11-6-2-1-5-10(11)9-18-13-12(15-19-16-13)17-7-3-4-8-17/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole has a molecular weight of 279.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole is sourced from PubChem (CID 43949497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).