1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone

C14H14ClN3O2S — CID 43949478

IUPAC1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone
SMILESO=C(COc1nsnc1N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O2S/c15-11-5-3-10(4-6-11)12(19)9-20-14-13(16-21-17-14)18-7-1-2-8-18/h3-6H,1-2,7-9H2
InChIKeyMVHRIYZDPXXTAE-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.05
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone

1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone (PubChem CID 43949478) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone
PubChem CID43949478
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone
SMILESO=C(COc1nsnc1N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O2S/c15-11-5-3-10(4-6-11)12(19)9-20-14-13(16-21-17-14)18-7-1-2-8-18/h3-6H,1-2,7-9H2
InChIKeyMVHRIYZDPXXTAE-UHFFFAOYSA-N
XLogP3.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanone
CID 43949594
methyl 2-[[4-(azepan-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate
CID 43949441
1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone
CID 95922805
2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 5298728
1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone
CID 95923404
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
CID 61328747
ethyl 2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]butanoate
CID 43949492
[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,3-dihydroisoindol-2-yl)benzoate
CID 4110956
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
4-[2-(4-chlorophenyl)-2-oxoethoxy]-3-methylnaphthalene-1,2-dione
CID 53376459
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone (CID 43949478) is 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone is O=C(COc1nsnc1N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone?
The InChIKey is MVHRIYZDPXXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-11-5-3-10(4-6-11)12(19)9-20-14-13(16-21-17-14)18-7-1-2-8-18/h3-6H,1-2,7-9H2.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone?
1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone has a molecular weight of 323.81 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone is sourced from PubChem (CID 43949478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).