ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate

C16H18FN5O3S — CID 42612392

IUPACethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1CCN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C16H18FN5O3S/c1-2-25-15(24)9-22-13(18-19-20-22)7-8-21-14(23)10-26-16(21)11-3-5-12(17)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyKGDLKIOPLBFPFT-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.19
Rot. Bonds7

About ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate

ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate (PubChem CID 42612392) has the molecular formula C16H18FN5O3S and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate
PubChem CID42612392
Molecular FormulaC16H18FN5O3S
Molecular Weight379.42 g/mol
Exact Mass379.11
IUPAC Nameethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1CCN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C16H18FN5O3S/c1-2-25-15(24)9-22-13(18-19-20-22)7-8-21-14(23)10-26-16(21)11-3-5-12(17)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyKGDLKIOPLBFPFT-UHFFFAOYSA-N
XLogP1.19
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate with MolForge

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Related Compounds

ethyl 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]-1,2,4-triazole-3-carboxylate
CID 42612387
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3801896
ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3290194
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033
3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 42612293
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea
CID 42814572
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 94020279
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate (CID 42612392) is ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1CCN1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate?
The InChIKey is KGDLKIOPLBFPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3S/c1-2-25-15(24)9-22-13(18-19-20-22)7-8-21-14(23)10-26-16(21)11-3-5-12(17)6-4-11/h3-6,16H,2,7-10H2,1H3.
What are the key properties of ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate has a molecular weight of 379.42 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 42612392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).