1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone

C17H16FNO2S — CID 3290034

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2S/c18-14-8-6-13(7-9-14)17-19(10-11-22-17)16(20)12-21-15-4-2-1-3-5-15/h1-9,17H,10-12H2
InChIKeyZRCUCWZNWFWNSC-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.48
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone

1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone (PubChem CID 3290034) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
PubChem CID3290034
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2S/c18-14-8-6-13(7-9-14)17-19(10-11-22-17)16(20)12-21-15-4-2-1-3-5-15/h1-9,17H,10-12H2
InChIKeyZRCUCWZNWFWNSC-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
CID 3607313
2-(4-Fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
5-(4-(Benzyloxy)benzylidene)-3-(4-fluorobenzyl)thiazolidine-2,4-dione
CID 2298925
2-(4-Fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2927893
N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 67510513
N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510929
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511212
N-ethyl-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511310
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone (CID 3290034) is 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The InChIKey is ZRCUCWZNWFWNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-14-8-6-13(7-9-14)17-19(10-11-22-17)16(20)12-21-15-4-2-1-3-5-15/h1-9,17H,10-12H2.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone has a molecular weight of 317.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone is sourced from PubChem (CID 3290034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).