1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone

C18H16FN5O2S — CID 41048112

IUPAC1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1cccc(-n2cnnn2)c1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C18H16FN5O2S/c19-16-7-2-1-6-15(16)18-23(8-9-27-18)17(25)11-26-14-5-3-4-13(10-14)24-12-20-21-22-24/h1-7,10,12,18H,8-9,11H2/t18-/m0/s1
InChIKeyBETSDXXWYNEQQB-SFHVURJKSA-N
MW385.42 g/mol
LogP2.45
Rot. Bonds5

About 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone

1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone (PubChem CID 41048112) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
PubChem CID41048112
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1cccc(-n2cnnn2)c1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C18H16FN5O2S/c19-16-7-2-1-6-15(16)18-23(8-9-27-18)17(25)11-26-14-5-3-4-13(10-14)24-12-20-21-22-24/h1-7,10,12,18H,8-9,11H2/t18-/m0/s1
InChIKeyBETSDXXWYNEQQB-SFHVURJKSA-N
XLogP2.45
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone with MolForge

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Related Compounds

1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 41099119
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(3-methyl-4-nitrophenoxy)ethanone
CID 9380988
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118763560
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 5077564
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
CID 7768488
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122330310
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17463367

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone (CID 41048112) is 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone is O=C(COc1cccc(-n2cnnn2)c1)N1CCS[C@H]1c1ccccc1F.
What is the InChIKey of 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The InChIKey is BETSDXXWYNEQQB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c19-16-7-2-1-6-15(16)18-23(8-9-27-18)17(25)11-26-14-5-3-4-13(10-14)24-12-20-21-22-24/h1-7,10,12,18H,8-9,11H2/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone has a molecular weight of 385.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 41048112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).