2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone

C14H13ClFN3O2S — CID 126853870

IUPAC2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(Oc2cnsn2)C1
InChIInChI=1S/C14H13ClFN3O2S/c15-11-2-1-3-12(16)10(11)6-14(20)19-5-4-9(8-19)21-13-7-17-22-18-13/h1-3,7,9H,4-6,8H2
InChIKeyPWADLULELIXWOI-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.55
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone (PubChem CID 126853870) has the molecular formula C14H13ClFN3O2S and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone
PubChem CID126853870
Molecular FormulaC14H13ClFN3O2S
Molecular Weight341.80 g/mol
Exact Mass341.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(Oc2cnsn2)C1
InChIInChI=1S/C14H13ClFN3O2S/c15-11-2-1-3-12(16)10(11)6-14(20)19-5-4-9(8-19)21-13-7-17-22-18-13/h1-3,7,9H,4-6,8H2
InChIKeyPWADLULELIXWOI-UHFFFAOYSA-N
XLogP2.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 155494157
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124761260
2-(2-chloro-6-fluorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746530
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877381
3-(2-chlorophenyl)-1-[4-(1,2,5-thiadiazol-3-yloxy)piperidin-1-yl]prop-2-en-1-one
CID 171137353
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
2-(2-chloro-6-fluorophenyl)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone
CID 122267688
1-(3-bromopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 80660364
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124981202
2-(2-chloro-6-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 78785496
2-(2-chloro-6-fluorophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 39807762

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone (CID 126853870) is 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone is O=C(Cc1c(F)cccc1Cl)N1CCC(Oc2cnsn2)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone?
The InChIKey is PWADLULELIXWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2S/c15-11-2-1-3-12(16)10(11)6-14(20)19-5-4-9(8-19)21-13-7-17-22-18-13/h1-3,7,9H,4-6,8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone has a molecular weight of 341.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126853870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).