1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one

C13H16FNOS — CID 19905282

IUPAC1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC1SCCN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNOS/c1-10-15(8-9-17-10)7-6-13(16)11-2-4-12(14)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyBBAJVFUFQORXKT-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.79
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one

1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 19905282) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID19905282
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC Name1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC1SCCN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNOS/c1-10-15(8-9-17-10)7-6-13(16)11-2-4-12(14)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyBBAJVFUFQORXKT-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one (CID 19905282) is 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one is CC1SCCN1CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is BBAJVFUFQORXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOS/c1-10-15(8-9-17-10)7-6-13(16)11-2-4-12(14)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one?
1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 253.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 19905282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).