2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol

C6H9BrN2OS — CID 165406031

IUPAC2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol
SMILESOCCNCc1scnc1Br
InChIInChI=1S/C6H9BrN2OS/c7-6-5(11-4-9-6)3-8-1-2-10/h4,8,10H,1-3H2
InChIKeyFNTBBATXFHOPTA-UHFFFAOYSA-N
MW237.12 g/mol
LogP0.99
Rot. Bonds4

About 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol

2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 165406031) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol
PubChem CID165406031
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol
SMILESOCCNCc1scnc1Br
InChIInChI=1S/C6H9BrN2OS/c7-6-5(11-4-9-6)3-8-1-2-10/h4,8,10H,1-3H2
InChIKeyFNTBBATXFHOPTA-UHFFFAOYSA-N
XLogP0.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol (CID 165406031) is 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol is OCCNCc1scnc1Br.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol?
The InChIKey is FNTBBATXFHOPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c7-6-5(11-4-9-6)3-8-1-2-10/h4,8,10H,1-3H2.
What are the key properties of 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol?
2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 237.12 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 165406031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).