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

C13H14ClN3OS — CID 43949487

IUPAC3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESClc1ccc(COc2nsnc2N2CCCC2)cc1
InChIInChI=1S/C13H14ClN3OS/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
InChIKeySDAJJGLTUFYEMW-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.37
Rot. Bonds4

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

3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole (PubChem CID 43949487) has the molecular formula C13H14ClN3OS and a molecular weight of 295.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
PubChem CID43949487
Molecular FormulaC13H14ClN3OS
Molecular Weight295.79 g/mol
Exact Mass295.05
IUPAC Name3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESClc1ccc(COc2nsnc2N2CCCC2)cc1
InChIInChI=1S/C13H14ClN3OS/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
InChIKeySDAJJGLTUFYEMW-UHFFFAOYSA-N
XLogP3.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.37
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
3-(Azepan-1-yl)-4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949456
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-[(2-Chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949520
4-[4-[(2-Chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
CID 43949545
3-[(2-Chloro-6-fluorophenyl)methoxy]-4-(2,6-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949572
3-[(2-Chloro-6-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949604
3-[(2-Chloro-6-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949636
3-[(2-Chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949668

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole (CID 43949487) is 3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole is Clc1ccc(COc2nsnc2N2CCCC2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The InChIKey is SDAJJGLTUFYEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/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-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole has a molecular weight of 295.79 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole is sourced from PubChem (CID 43949487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).