2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol

C10H19N2OS+ — CID 57192192

IUPAC2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
SMILESCc1c(CCO)sc[n+]1CCN(C)C
InChIInChI=1S/C10H19N2OS/c1-9-10(4-7-13)14-8-12(9)6-5-11(2)3/h8,13H,4-7H2,1-3H3/q+1
InChIKeyYOELEIIGBMWHHS-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.44
Rot. Bonds5

About 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol

2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol (PubChem CID 57192192) has the molecular formula C10H19N2OS+ and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
PubChem CID57192192
Molecular FormulaC10H19N2OS+
Molecular Weight215.34 g/mol
Exact Mass215.12
IUPAC Name2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
SMILESCc1c(CCO)sc[n+]1CCN(C)C
InChIInChI=1S/C10H19N2OS/c1-9-10(4-7-13)14-8-12(9)6-5-11(2)3/h8,13H,4-7H2,1-3H3/q+1
InChIKeyYOELEIIGBMWHHS-UHFFFAOYSA-N
XLogP0.44
TPSA27.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol?
The IUPAC name of 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol (CID 57192192) is 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol.
What is the SMILES notation for 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol?
The canonical SMILES for 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol is Cc1c(CCO)sc[n+]1CCN(C)C.
What is the InChIKey of 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol?
The InChIKey is YOELEIIGBMWHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2OS/c1-9-10(4-7-13)14-8-12(9)6-5-11(2)3/h8,13H,4-7H2,1-3H3/q+1.
What are the key properties of 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol?
2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol is sourced from PubChem (CID 57192192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).