1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one

C12H14FNO3S — CID 62023801

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CN1CCCS1(=O)=O
InChIInChI=1S/C12H14FNO3S/c13-12-5-2-1-4-10(12)8-11(15)9-14-6-3-7-18(14,16)17/h1-2,4-5H,3,6-9H2
InChIKeyLTEQJRQSWJSIQJ-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.97
Rot. Bonds4

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one

1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one (PubChem CID 62023801) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one
PubChem CID62023801
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CN1CCCS1(=O)=O
InChIInChI=1S/C12H14FNO3S/c13-12-5-2-1-4-10(12)8-11(15)9-14-6-3-7-18(14,16)17/h1-2,4-5H,3,6-9H2
InChIKeyLTEQJRQSWJSIQJ-UHFFFAOYSA-N
XLogP0.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
CID 62025819
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82749677
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 106836569
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
CID 43619971
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052719
(1,1-dioxo-1,2-thiazolidin-2-yl)-(2-fluorophenyl)methanone
CID 47067856
1-(2-fluorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-2-one
CID 114538567
1-(2-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-one
CID 102744775
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
CID 107393650

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one (CID 62023801) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one is O=C(Cc1ccccc1F)CN1CCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is LTEQJRQSWJSIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-12-5-2-1-4-10(12)8-11(15)9-14-6-3-7-18(14,16)17/h1-2,4-5H,3,6-9H2.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one has a molecular weight of 271.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 62023801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).