(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride

C5H10ClN3OS — CID 16876437

IUPAC(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
SMILESCCSc1nnc(CN)o1.Cl
InChIInChI=1S/C5H9N3OS.ClH/c1-2-10-5-8-7-4(3-6)9-5;/h2-3,6H2,1H3;1H
InChIKeyIKMVEOAFJVUNSJ-UHFFFAOYSA-N
MW195.67 g/mol
LogP1.06
Rot. Bonds3

About (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride

(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride (PubChem CID 16876437) has the molecular formula C5H10ClN3OS and a molecular weight of 195.67 g/mol. Its IUPAC name is (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
PubChem CID16876437
Molecular FormulaC5H10ClN3OS
Molecular Weight195.67 g/mol
Exact Mass195.02
IUPAC Name(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
SMILESCCSc1nnc(CN)o1.Cl
InChIInChI=1S/C5H9N3OS.ClH/c1-2-10-5-8-7-4(3-6)9-5;/h2-3,6H2,1H3;1H
InChIKeyIKMVEOAFJVUNSJ-UHFFFAOYSA-N
XLogP1.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride (CID 16876437) is (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride is CCSc1nnc(CN)o1.Cl.
What is the InChIKey of (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride?
The InChIKey is IKMVEOAFJVUNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS.ClH/c1-2-10-5-8-7-4(3-6)9-5;/h2-3,6H2,1H3;1H.
What are the key properties of (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride?
(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride has a molecular weight of 195.67 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 16876437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).