2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

C16H18N2O2S2 — CID 129489308

IUPAC2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESc1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CSCCS3)o2)cc1
InChIInChI=1S/C16H18N2O2S2/c1-2-4-11(5-3-1)14-12(6-7-19-14)15-17-18-16(20-15)13-10-21-8-9-22-13/h1-5,12-14H,6-10H2/t12-,13-,14+/m0/s1
InChIKeyNVBNJAZBIHEZID-MELADBBJSA-N
MW334.47 g/mol
LogP3.84
Rot. Bonds3

About 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (PubChem CID 129489308) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
PubChem CID129489308
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESc1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CSCCS3)o2)cc1
InChIInChI=1S/C16H18N2O2S2/c1-2-4-11(5-3-1)14-12(6-7-19-14)15-17-18-16(20-15)13-10-21-8-9-22-13/h1-5,12-14H,6-10H2/t12-,13-,14+/m0/s1
InChIKeyNVBNJAZBIHEZID-MELADBBJSA-N
XLogP3.84
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole 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 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (CID 129489308) is 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CSCCS3)o2)cc1.
What is the InChIKey of 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The InChIKey is NVBNJAZBIHEZID-MELADBBJSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-2-4-11(5-3-1)14-12(6-7-19-14)15-17-18-16(20-15)13-10-21-8-9-22-13/h1-5,12-14H,6-10H2/t12-,13-,14+/m0/s1.
What are the key properties of 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole has a molecular weight of 334.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129489308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).