2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine

C6H10N2OS — CID 84650801

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCc1coc(SCCN)n1
InChIInChI=1S/C6H10N2OS/c1-5-4-9-6(8-5)10-3-2-7/h4H,2-3,7H2,1H3
InChIKeyFBNREOREACATIS-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.03
Rot. Bonds3

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (PubChem CID 84650801) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
PubChem CID84650801
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCc1coc(SCCN)n1
InChIInChI=1S/C6H10N2OS/c1-5-4-9-6(8-5)10-3-2-7/h4H,2-3,7H2,1H3
InChIKeyFBNREOREACATIS-UHFFFAOYSA-N
XLogP1.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (CID 84650801) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is Cc1coc(SCCN)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The InChIKey is FBNREOREACATIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5-4-9-6(8-5)10-3-2-7/h4H,2-3,7H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine has a molecular weight of 158.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 84650801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).