2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride

C6H11ClN2OS — CID 68522489

IUPAC2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride
SMILESCSc1ncc(CCN)o1.Cl
InChIInChI=1S/C6H10N2OS.ClH/c1-10-6-8-4-5(9-6)2-3-7;/h4H,2-3,7H2,1H3;1H
InChIKeyFDMKJRHRSPVKEB-UHFFFAOYSA-N
MW194.69 g/mol
LogP1.32
Rot. Bonds3

About 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride

2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride (PubChem CID 68522489) has the molecular formula C6H11ClN2OS and a molecular weight of 194.69 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride
PubChem CID68522489
Molecular FormulaC6H11ClN2OS
Molecular Weight194.69 g/mol
Exact Mass194.03
IUPAC Name2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride
SMILESCSc1ncc(CCN)o1.Cl
InChIInChI=1S/C6H10N2OS.ClH/c1-10-6-8-4-5(9-6)2-3-7;/h4H,2-3,7H2,1H3;1H
InChIKeyFDMKJRHRSPVKEB-UHFFFAOYSA-N
XLogP1.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.69
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride (CID 68522489) is 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride is CSc1ncc(CCN)o1.Cl.
What is the InChIKey of 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride?
The InChIKey is FDMKJRHRSPVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS.ClH/c1-10-6-8-4-5(9-6)2-3-7;/h4H,2-3,7H2,1H3;1H.
What are the key properties of 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride?
2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride has a molecular weight of 194.69 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-1,3-oxazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 68522489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).