3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride

C7H12ClN3OS — CID 130637803

IUPAC3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCCc1noc([C@H]2CSCN2)n1.Cl
InChIInChI=1S/C7H11N3OS.ClH/c1-2-6-9-7(11-10-6)5-3-12-4-8-5;/h5,8H,2-4H2,1H3;1H/t5-;/m1./s1
InChIKeyNLZBZPFXZWVEBA-NUBCRITNSA-N
MW221.71 g/mol
LogP1.39
Rot. Bonds2

About 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride

3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 130637803) has the molecular formula C7H12ClN3OS and a molecular weight of 221.71 g/mol. Its IUPAC name is 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID130637803
Molecular FormulaC7H12ClN3OS
Molecular Weight221.71 g/mol
Exact Mass221.04
IUPAC Name3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCCc1noc([C@H]2CSCN2)n1.Cl
InChIInChI=1S/C7H11N3OS.ClH/c1-2-6-9-7(11-10-6)5-3-12-4-8-5;/h5,8H,2-4H2,1H3;1H/t5-;/m1./s1
InChIKeyNLZBZPFXZWVEBA-NUBCRITNSA-N
XLogP1.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride (CID 130637803) is 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride is CCc1noc([C@H]2CSCN2)n1.Cl.
What is the InChIKey of 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is NLZBZPFXZWVEBA-NUBCRITNSA-N. The full InChI is InChI=1S/C7H11N3OS.ClH/c1-2-6-9-7(11-10-6)5-3-12-4-8-5;/h5,8H,2-4H2,1H3;1H/t5-;/m1./s1.
What are the key properties of 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 130637803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).