(1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride

C19H20ClN3OS — CID 16682473

IUPAC(1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1
InChIInChI=1S/C19H19N3OS.ClH/c20-17(14-16-10-5-2-6-11-16)18-21-22-19(23-18)24-13-7-12-15-8-3-1-4-9-15;/h1-12,17H,13-14,20H2;1H/b12-7+;/t17-;/m0./s1
InChIKeyMXTPEDXMXAXVMB-ZWMALYSBSA-N
MW373.91 g/mol
LogP4.54
Rot. Bonds7

About (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride

(1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 16682473) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
PubChem CID16682473
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name(1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1
InChIInChI=1S/C19H19N3OS.ClH/c20-17(14-16-10-5-2-6-11-16)18-21-22-19(23-18)24-13-7-12-15-8-3-1-4-9-15;/h1-12,17H,13-14,20H2;1H/b12-7+;/t17-;/m0./s1
InChIKeyMXTPEDXMXAXVMB-ZWMALYSBSA-N
XLogP4.54
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride (CID 16682473) is (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride is Cl.N[C@@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1.
What is the InChIKey of (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is MXTPEDXMXAXVMB-ZWMALYSBSA-N. The full InChI is InChI=1S/C19H19N3OS.ClH/c20-17(14-16-10-5-2-6-11-16)18-21-22-19(23-18)24-13-7-12-15-8-3-1-4-9-15;/h1-12,17H,13-14,20H2;1H/b12-7+;/t17-;/m0./s1.
What are the key properties of (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
(1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 16682473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).