2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone

C14H14FN3O2S — CID 91959140

IUPAC2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1nsnc1-c1cccc(F)c1)N1CCCC1
InChIInChI=1S/C14H14FN3O2S/c15-11-5-3-4-10(8-11)13-14(17-21-16-13)20-9-12(19)18-6-1-2-7-18/h3-5,8H,1-2,6-7,9H2
InChIKeyXCEPRXADDJKHPP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.35
Rot. Bonds4

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

2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone (PubChem CID 91959140) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone
PubChem CID91959140
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1nsnc1-c1cccc(F)c1)N1CCCC1
InChIInChI=1S/C14H14FN3O2S/c15-11-5-3-4-10(8-11)13-14(17-21-16-13)20-9-12(19)18-6-1-2-7-18/h3-5,8H,1-2,6-7,9H2
InChIKeyXCEPRXADDJKHPP-UHFFFAOYSA-N
XLogP2.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 91959112
2-[2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 58195254
2-[4,5-bis(3-fluorophenyl)triazol-1-yl]-1-piperidin-1-ylethanone
CID 59363201
1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 91959172
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 91959153
2-(3-fluorophenoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308620
1-[4-[2-(3-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796896
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 59152277
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-[2-(azetidin-1-yl)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014541

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone (CID 91959140) is 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone is O=C(COc1nsnc1-c1cccc(F)c1)N1CCCC1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is XCEPRXADDJKHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-11-5-3-4-10(8-11)13-14(17-21-16-13)20-9-12(19)18-6-1-2-7-18/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone?
2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 307.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)-1,2,5-thiadiazol-3-yl]oxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 91959140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).