1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol

C7H10ClNOS — CID 79002149

IUPAC1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS/c1-9-4-5(10)6-2-3-7(8)11-6/h2-3,5,9-10H,4H2,1H3
InChIKeyXQUACYFXSPHROK-UHFFFAOYSA-N
MW191.68 g/mol
LogP1.65
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol

1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol (PubChem CID 79002149) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
PubChem CID79002149
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS/c1-9-4-5(10)6-2-3-7(8)11-6/h2-3,5,9-10H,4H2,1H3
InChIKeyXQUACYFXSPHROK-UHFFFAOYSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 82120398
2-(5-chlorothiophen-2-yl)-2-fluoro-N-methylethanamine
CID 105425161
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
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1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol
CID 115725070
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 95988289
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
2-[[N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-N'-methylcarbamimidoyl]amino]-N-methylacetamide;hydroiodide
CID 119142109
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150022

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol (CID 79002149) is 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol is CNCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol?
The InChIKey is XQUACYFXSPHROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-9-4-5(10)6-2-3-7(8)11-6/h2-3,5,9-10H,4H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol?
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol has a molecular weight of 191.68 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 79002149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).