N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine

C16H22N2OS — CID 106927657

IUPACN-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CSc1nc(C)co1)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2OS/c1-10-6-11(2)15(12(3)7-10)14(17-5)9-20-16-18-13(4)8-19-16/h6-8,14,17H,9H2,1-5H3
InChIKeyIBNYUVBFZDGROT-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.96
Rot. Bonds5

About N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine

N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 106927657) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID106927657
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CSc1nc(C)co1)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2OS/c1-10-6-11(2)15(12(3)7-10)14(17-5)9-20-16-18-13(4)8-19-16/h6-8,14,17H,9H2,1-5H3
InChIKeyIBNYUVBFZDGROT-UHFFFAOYSA-N
XLogP3.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927779
1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927797
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786
methyl 2-(methylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106925140
4-methyl-2-(oxiran-2-ylmethylsulfanyl)-1,3-oxazole
CID 106922967
N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64610898
2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64614124
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 106928061
N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107763634
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]butane-1-thiol
CID 106928123
2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 106924260

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 106927657) is N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine is CNC(CSc1nc(C)co1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is IBNYUVBFZDGROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-6-11(2)15(12(3)7-10)14(17-5)9-20-16-18-13(4)8-19-16/h6-8,14,17H,9H2,1-5H3.
What are the key properties of N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 106927657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).