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

C12H14N2OS — CID 106922000

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
SMILESCc1coc(SC(CN)c2ccccc2)n1
InChIInChI=1S/C12H14N2OS/c1-9-8-15-12(14-9)16-11(7-13)10-5-3-2-4-6-10/h2-6,8,11H,7,13H2,1H3
InChIKeyLZJWWMDREJQWPU-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.78
Rot. Bonds4

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

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine (PubChem CID 106922000) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
PubChem CID106922000
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
SMILESCc1coc(SC(CN)c2ccccc2)n1
InChIInChI=1S/C12H14N2OS/c1-9-8-15-12(14-9)16-11(7-13)10-5-3-2-4-6-10/h2-6,8,11H,7,13H2,1H3
InChIKeyLZJWWMDREJQWPU-UHFFFAOYSA-N
XLogP2.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 106927798
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106920797
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 106922207
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922077
2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017038
1-(4-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922037
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 106923721
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine (CID 106922000) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine is Cc1coc(SC(CN)c2ccccc2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine?
The InChIKey is LZJWWMDREJQWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-8-15-12(14-9)16-11(7-13)10-5-3-2-4-6-10/h2-6,8,11H,7,13H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine has a molecular weight of 234.32 g/mol, XLogP of 2.78, 4 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]-2-phenylethanamine is sourced from PubChem (CID 106922000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).