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

C13H14FN3OS — CID 43949474

IUPAC3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESFc1ccc(COc2nsnc2N2CCCC2)cc1
InChIInChI=1S/C13H14FN3OS/c14-11-5-3-10(4-6-11)9-18-13-12(15-19-16-13)17-7-1-2-8-17/h3-6H,1-2,7-9H2
InChIKeyZAXJBOXSXLVAEF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.86
Rot. Bonds4

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

3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole (PubChem CID 43949474) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
PubChem CID43949474
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESFc1ccc(COc2nsnc2N2CCCC2)cc1
InChIInChI=1S/C13H14FN3OS/c14-11-5-3-10(4-6-11)9-18-13-12(15-19-16-13)17-7-1-2-8-17/h3-6H,1-2,7-9H2
InChIKeyZAXJBOXSXLVAEF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(2-Chloro-6-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949488
3-[(2-Fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949497
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-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole (CID 43949474) is 3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole is Fc1ccc(COc2nsnc2N2CCCC2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The InChIKey is ZAXJBOXSXLVAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c14-11-5-3-10(4-6-11)9-18-13-12(15-19-16-13)17-7-1-2-8-17/h3-6H,1-2,7-9H2.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
3-[(4-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-[(4-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole is sourced from PubChem (CID 43949474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).