3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole

C15H18BrN3OS — CID 43949650

IUPAC3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCN(c2nsnc2OCc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrN3OS/c1-11-6-8-19(9-7-11)14-15(18-21-17-14)20-10-12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyJUJAWMFSWIOHGO-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.12
Rot. Bonds4

About 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole

3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949650) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID43949650
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC Name3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCN(c2nsnc2OCc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrN3OS/c1-11-6-8-19(9-7-11)14-15(18-21-17-14)20-10-12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyJUJAWMFSWIOHGO-UHFFFAOYSA-N
XLogP4.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.12
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-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-piperidin-1-yl-1,2,5-thiadiazole
CID 43949506
3-[(2-Fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949529
3-[(3-Fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949532
4-[4-[(4-Fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
CID 43949536
4-[4-[(3-Fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
CID 43949553
3-(2,6-Dimethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949558
3-(2,6-Dimethylpiperidin-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949581

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole (CID 43949650) is 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole is CC1CCN(c2nsnc2OCc2ccc(Br)cc2)CC1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is JUJAWMFSWIOHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-11-6-8-19(9-7-11)14-15(18-21-17-14)20-10-12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 368.30 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).