2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol

C6H9BrN2OS — CID 79399141

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1nc(Br)cs1
InChIInChI=1S/C6H9BrN2OS/c1-9(2-3-10)6-8-5(7)4-11-6/h4,10H,2-3H2,1H3
InChIKeyZHYCIWMDBGZHQN-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.33
Rot. Bonds3

About 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol

2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol (PubChem CID 79399141) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol
PubChem CID79399141
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1nc(Br)cs1
InChIInChI=1S/C6H9BrN2OS/c1-9(2-3-10)6-8-5(7)4-11-6/h4,10H,2-3H2,1H3
InChIKeyZHYCIWMDBGZHQN-UHFFFAOYSA-N
XLogP1.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol (CID 79399141) is 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol is CN(CCO)c1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol?
The InChIKey is ZHYCIWMDBGZHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-9(2-3-10)6-8-5(7)4-11-6/h4,10H,2-3H2,1H3.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol?
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol has a molecular weight of 237.12 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol is sourced from PubChem (CID 79399141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).