2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide

C12H18N2O2S — CID 84749678

IUPAC2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
SMILESCOc1ccccc1C(C(N)=S)N(C)CCO
InChIInChI=1S/C12H18N2O2S/c1-14(7-8-15)11(12(13)17)9-5-3-4-6-10(9)16-2/h3-6,11,15H,7-8H2,1-2H3,(H2,13,17)
InChIKeyOGCPSWVVEHBAIV-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide

2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide (PubChem CID 84749678) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
PubChem CID84749678
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
SMILESCOc1ccccc1C(C(N)=S)N(C)CCO
InChIInChI=1S/C12H18N2O2S/c1-14(7-8-15)11(12(13)17)9-5-3-4-6-10(9)16-2/h3-6,11,15H,7-8H2,1-2H3,(H2,13,17)
InChIKeyOGCPSWVVEHBAIV-UHFFFAOYSA-N
XLogP0.95
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide 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

2-(3-ethoxy-2-hydroxyphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanethioamide
CID 84749695
2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide
CID 84749659
2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
CID 84749272
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84746496
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol
CID 105464162
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
2-(dimethylamino)-2-(3-ethoxy-2-hydroxyphenyl)ethanethioamide
CID 84749815
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol
CID 102860441

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide (CID 84749678) is 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide is COc1ccccc1C(C(N)=S)N(C)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide?
The InChIKey is OGCPSWVVEHBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14(7-8-15)11(12(13)17)9-5-3-4-6-10(9)16-2/h3-6,11,15H,7-8H2,1-2H3,(H2,13,17).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide?
2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide has a molecular weight of 254.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide is sourced from PubChem (CID 84749678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).