1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol

C6H9BrN2OS — CID 84699874

IUPAC1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1sncc1Br
InChIInChI=1S/C6H9BrN2OS/c1-8-3-5(10)6-4(7)2-9-11-6/h2,5,8,10H,3H2,1H3
InChIKeyRIPXKMACSFPFTP-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.16
Rot. Bonds3

About 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol

1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol (PubChem CID 84699874) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol
PubChem CID84699874
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1sncc1Br
InChIInChI=1S/C6H9BrN2OS/c1-8-3-5(10)6-4(7)2-9-11-6/h2,5,8,10H,3H2,1H3
InChIKeyRIPXKMACSFPFTP-UHFFFAOYSA-N
XLogP1.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Bromoisothiazol-5-yl)ethan-1-ol
CID 84675764
1-(4-Chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol
CID 84664430
2-Amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol
CID 84688089
2-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699871
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699872
2-(Methylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 131036683
2-(Aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol
CID 165446471
2-(4-Bromo-1,2-thiazol-5-yl)-2-ethoxyethan-1-amine
CID 165506117
5-[(4-Bromo-1,2-thiazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-ol
CID 165743605
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-ol
CID 165779174
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)-2-methylpropan-1-ol
CID 165788107
2-(4-Bromo-1,2-thiazol-5-yl)-2-methoxyethan-1-amine
CID 165960961

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol (CID 84699874) is 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol is CNCC(O)c1sncc1Br.
What is the InChIKey of 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol?
The InChIKey is RIPXKMACSFPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-8-3-5(10)6-4(7)2-9-11-6/h2,5,8,10H,3H2,1H3.
What are the key properties of 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol?
1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol has a molecular weight of 237.12 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 84699874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).