[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate

C16H13FN2O3S2 — CID 7715987

IUPAC[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESC[C@H](OC(=O)CSc1ccccc1F)c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H13FN2O3S2/c1-10(15-18-19-16(22-15)13-7-4-8-23-13)21-14(20)9-24-12-6-3-2-5-11(12)17/h2-8,10H,9H2,1H3/t10-/m0/s1
InChIKeyODWITYCNTGHGNK-JTQLQIEISA-N
MW364.42 g/mol
LogP4.33
Rot. Bonds6

About [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7715987) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7715987
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC Name[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESC[C@H](OC(=O)CSc1ccccc1F)c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H13FN2O3S2/c1-10(15-18-19-16(22-15)13-7-4-8-23-13)21-14(20)9-24-12-6-3-2-5-11(12)17/h2-8,10H,9H2,1H3/t10-/m0/s1
InChIKeyODWITYCNTGHGNK-JTQLQIEISA-N
XLogP4.33
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7715987) is [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate is C[C@H](OC(=O)CSc1ccccc1F)c1nnc(-c2cccs2)o1.
What is the InChIKey of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is ODWITYCNTGHGNK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c1-10(15-18-19-16(22-15)13-7-4-8-23-13)21-14(20)9-24-12-6-3-2-5-11(12)17/h2-8,10H,9H2,1H3/t10-/m0/s1.
What are the key properties of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate?
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 364.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7715987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).