1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone

C16H20FN3O2S — CID 119837015

IUPAC1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3CSCN3)CC2)c(F)c1
InChIInChI=1S/C16H20FN3O2S/c1-11(21)12-2-3-15(13(17)8-12)19-4-6-20(7-5-19)16(22)14-9-23-10-18-14/h2-3,8,14,18H,4-7,9-10H2,1H3
InChIKeyGWPJCVJUKHTSRG-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.34
Rot. Bonds3

About 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 119837015) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID119837015
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3CSCN3)CC2)c(F)c1
InChIInChI=1S/C16H20FN3O2S/c1-11(21)12-2-3-15(13(17)8-12)19-4-6-20(7-5-19)16(22)14-9-23-10-18-14/h2-3,8,14,18H,4-7,9-10H2,1H3
InChIKeyGWPJCVJUKHTSRG-UHFFFAOYSA-N
XLogP1.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1,3-thiazolidine-4-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 110746136
1-[3-fluoro-4-[4-[2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 51292338
1-[4-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 17448030
4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide
CID 43056183
4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 55611581
[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119843595
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 599707
1-[3-fluoro-4-[4-[2-(3-nitrothiomorpholin-4-yl)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 11213614
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
1-[4-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 24552330
1-[3-fluoro-4-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 17400897

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 119837015) is 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)C3CSCN3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is GWPJCVJUKHTSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-11(21)12-2-3-15(13(17)8-12)19-4-6-20(7-5-19)16(22)14-9-23-10-18-14/h2-3,8,14,18H,4-7,9-10H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 119837015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).