1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one

C14H18FNOS — CID 3479070

IUPAC1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCSC1c1cccc(F)c1
InChIInChI=1S/C14H18FNOS/c1-2-3-7-13(17)16-8-9-18-14(16)11-5-4-6-12(15)10-11/h4-6,10,14H,2-3,7-9H2,1H3
InChIKeyYOLGIALQXOXFMD-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.59
Rot. Bonds4

About 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one

1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one (PubChem CID 3479070) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one
PubChem CID3479070
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCSC1c1cccc(F)c1
InChIInChI=1S/C14H18FNOS/c1-2-3-7-13(17)16-8-9-18-14(16)11-5-4-6-12(15)10-11/h4-6,10,14H,2-3,7-9H2,1H3
InChIKeyYOLGIALQXOXFMD-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
Rhodanine, 3-(alpha-methylbenzyl)-
CID 99773
2-Phenyl-1,3-thiazolidin-4-one
CID 290165
3-Benzyl-1,3-thiazolidine-2,4-dione
CID 2788476
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-fluorobenzyl)-3-methylbutanamide
CID 2986788

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one (CID 3479070) is 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one is CCCCC(=O)N1CCSC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The InChIKey is YOLGIALQXOXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-2-3-7-13(17)16-8-9-18-14(16)11-5-4-6-12(15)10-11/h4-6,10,14H,2-3,7-9H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]pentan-1-one is sourced from PubChem (CID 3479070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).