5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride

C14H19ClN8OS — CID 154917566

IUPAC5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCl.Cn1nnnc1SCCNc1nnc([C@H](N)Cc2ccccc2)o1
InChIInChI=1S/C14H18N8OS.ClH/c1-22-14(19-20-21-22)24-8-7-16-13-18-17-12(23-13)11(15)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,15H2,1H3,(H,16,18);1H/t11-;/m1./s1
InChIKeyFUEKHQXYQSAYQL-RFVHGSKJSA-N
MW382.88 g/mol
LogP1.46
Rot. Bonds8

About 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride

5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride (PubChem CID 154917566) has the molecular formula C14H19ClN8OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride
PubChem CID154917566
Molecular FormulaC14H19ClN8OS
Molecular Weight382.88 g/mol
Exact Mass382.11
IUPAC Name5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCl.Cn1nnnc1SCCNc1nnc([C@H](N)Cc2ccccc2)o1
InChIInChI=1S/C14H18N8OS.ClH/c1-22-14(19-20-21-22)24-8-7-16-13-18-17-12(23-13)11(15)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,15H2,1H3,(H,16,18);1H/t11-;/m1./s1
InChIKeyFUEKHQXYQSAYQL-RFVHGSKJSA-N
XLogP1.46
TPSA120.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride (CID 154917566) is 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride is Cl.Cn1nnnc1SCCNc1nnc([C@H](N)Cc2ccccc2)o1.
What is the InChIKey of 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The InChIKey is FUEKHQXYQSAYQL-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H18N8OS.ClH/c1-22-14(19-20-21-22)24-8-7-16-13-18-17-12(23-13)11(15)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,15H2,1H3,(H,16,18);1H/t11-;/m1./s1.
What are the key properties of 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride has a molecular weight of 382.88 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-phenylethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazol-2-amine;hydrochloride is sourced from PubChem (CID 154917566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).