2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide

C12H17FN2OS — CID 84749485

IUPAC2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide
SMILESCCN(CCO)C(C(N)=S)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2OS/c1-2-15(7-8-16)11(12(14)17)9-3-5-10(13)6-4-9/h3-6,11,16H,2,7-8H2,1H3,(H2,14,17)
InChIKeyOACYHPNOYAVOEU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.47
Rot. Bonds6

About 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide

2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide (PubChem CID 84749485) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide
PubChem CID84749485
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide
SMILESCCN(CCO)C(C(N)=S)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2OS/c1-2-15(7-8-16)11(12(14)17)9-3-5-10(13)6-4-9/h3-6,11,16H,2,7-8H2,1H3,(H2,14,17)
InChIKeyOACYHPNOYAVOEU-UHFFFAOYSA-N
XLogP1.47
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749057
2-[ethyl(2-hydroxyethyl)amino]-2-(4-nitrophenyl)ethanethioamide
CID 84749471
3-[[2-amino-1-(3-fluorophenyl)-2-sulfanylideneethyl]-ethylamino]propanoic acid
CID 84750093
2-[ethyl(2-hydroxyethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 110881216
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
2-[benzyl(methyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749344
2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide
CID 84749659
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone
CID 92524482
2-(diethylamino)-2-thiophen-3-ylethanethioamide
CID 84758197
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871
2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
CID 54601247

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide (CID 84749485) is 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide is CCN(CCO)C(C(N)=S)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide?
The InChIKey is OACYHPNOYAVOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-2-15(7-8-16)11(12(14)17)9-3-5-10(13)6-4-9/h3-6,11,16H,2,7-8H2,1H3,(H2,14,17).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide?
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide has a molecular weight of 256.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide is sourced from PubChem (CID 84749485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).