2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide

C6H11BrN2OS — CID 20550203

IUPAC2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide
SMILESBr.NCCSCc1ccon1
InChIInChI=1S/C6H10N2OS.BrH/c7-2-4-10-5-6-1-3-9-8-6;/h1,3H,2,4-5,7H2;1H
InChIKeyJROSXWHCGBIIJI-UHFFFAOYSA-N
MW239.14 g/mol
LogP1.44
Rot. Bonds4

About 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide

2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide (PubChem CID 20550203) has the molecular formula C6H11BrN2OS and a molecular weight of 239.14 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide
PubChem CID20550203
Molecular FormulaC6H11BrN2OS
Molecular Weight239.14 g/mol
Exact Mass237.98
IUPAC Name2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide
SMILESBr.NCCSCc1ccon1
InChIInChI=1S/C6H10N2OS.BrH/c7-2-4-10-5-6-1-3-9-8-6;/h1,3H,2,4-5,7H2;1H
InChIKeyJROSXWHCGBIIJI-UHFFFAOYSA-N
XLogP1.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1,2-Oxazol-3-yl)methanethiol
CID 15646083
(Z)-2-nitro-1-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CID 70508751
2-nitro-1-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CID 70508752
2-((Isoxazol-3-ylmethyl)thio)ethanamine
CID 12923417
S-(1,2-oxazol-3-ylmethyl) N-methyl-N-propan-2-ylcarbamothioate
CID 20284544
N-methyl-N'-[2-(3-isoxazolylmethylthio)ethyl]thiourea
CID 20466721
methyl N'-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]carbamimidothioate
CID 20509961
(Z)-1-N-ethyl-2-nitro-1-N'-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]ethene-1,1-diamine
CID 20550107
(E)-1-methylsulfanyl-2-nitro-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]ethenamine
CID 20550109
(Z)-1-N-methyl-2-nitro-1-N'-[3-(1,2-oxazol-3-ylmethylsulfanyl)propyl]ethene-1,1-diamine
CID 20550144
(Z)-1-N-methyl-2-nitro-1-N'-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]ethene-1,1-diamine
CID 20550195
1,1-Dicyano-2-methylamino-2-[2-(3-isoxazolylmethylthio)ethylamino]ethylene
CID 20550206

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide (CID 20550203) is 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide is Br.NCCSCc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide?
The InChIKey is JROSXWHCGBIIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS.BrH/c7-2-4-10-5-6-1-3-9-8-6;/h1,3H,2,4-5,7H2;1H.
What are the key properties of 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide?
2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide has a molecular weight of 239.14 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine;hydrobromide is sourced from PubChem (CID 20550203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).