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

C5H7BrN2OS — CID 84688090

IUPAC2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol
SMILESNC(CO)c1sncc1Br
InChIInChI=1S/C5H7BrN2OS/c6-3-1-8-10-5(3)4(7)2-9/h1,4,9H,2,7H2
InChIKeyZRJLNETVTQAZRR-UHFFFAOYSA-N
MW223.09 g/mol
LogP0.90
Rot. Bonds2

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

2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol (PubChem CID 84688090) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol
PubChem CID84688090
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol
SMILESNC(CO)c1sncc1Br
InChIInChI=1S/C5H7BrN2OS/c6-3-1-8-10-5(3)4(7)2-9/h1,4,9H,2,7H2
InChIKeyZRJLNETVTQAZRR-UHFFFAOYSA-N
XLogP0.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol
CID 84656713
2-Amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol
CID 84688089
2-Amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid
CID 84699846
2-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699871
3-Amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699873
3-(4-Bromo-1,2-thiazol-5-yl)propan-1-ol
CID 165600381
2-(4-Bromo-1,2-thiazol-5-yl)ethan-1-ol
CID 165787195

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol (CID 84688090) is 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol is NC(CO)c1sncc1Br.
What is the InChIKey of 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol?
The InChIKey is ZRJLNETVTQAZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c6-3-1-8-10-5(3)4(7)2-9/h1,4,9H,2,7H2.
What are the key properties of 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol?
2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol has a molecular weight of 223.09 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 84688090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).