3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole

C14H17N3OS — CID 43949476

IUPAC3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESCC(Oc1nsnc1N1CCCC1)c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-11(12-7-3-2-4-8-12)18-14-13(15-19-16-14)17-9-5-6-10-17/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyIPKAHDSDJOSEGR-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.28
Rot. Bonds4

About 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole

3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole (PubChem CID 43949476) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole
PubChem CID43949476
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESCC(Oc1nsnc1N1CCCC1)c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-11(12-7-3-2-4-8-12)18-14-13(15-19-16-14)17-9-5-6-10-17/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyIPKAHDSDJOSEGR-UHFFFAOYSA-N
XLogP3.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.28
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-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-[(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-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

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The IUPAC name of 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole (CID 43949476) is 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole is CC(Oc1nsnc1N1CCCC1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The InChIKey is IPKAHDSDJOSEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11(12-7-3-2-4-8-12)18-14-13(15-19-16-14)17-9-5-6-10-17/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole has a molecular weight of 275.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethoxy)-4-pyrrolidin-1-yl-1,2,5-thiadiazole is sourced from PubChem (CID 43949476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).