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

C6H9BrN2OS — CID 84699871

IUPAC2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
SMILESCC(N)C(O)c1sncc1Br
InChIInChI=1S/C6H9BrN2OS/c1-3(8)5(10)6-4(7)2-9-11-6/h2-3,5,10H,8H2,1H3
InChIKeyCVPOHODOUUSWAE-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.29
Rot. Bonds2

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

2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 84699871) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
PubChem CID84699871
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
SMILESCC(N)C(O)c1sncc1Br
InChIInChI=1S/C6H9BrN2OS/c1-3(8)5(10)6-4(7)2-9-11-6/h2-3,5,10H,8H2,1H3
InChIKeyCVPOHODOUUSWAE-UHFFFAOYSA-N
XLogP1.29
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Bromoisothiazol-5-yl)ethan-1-ol
CID 84675764
2-Amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664427
2-Amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol
CID 84688089
2-Amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol
CID 84688090
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699872
3-Amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699873
1-(4-Bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol
CID 84699874
(2r)-2-Amino-1-(1,2-thiazol-5-yl)butan-1-ol
CID 164661969
[1-(Aminomethyl)cyclopropyl](4-bromo-1,2-thiazol-5-yl)methanol
CID 165443274
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
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-ol
CID 165779174

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol (CID 84699871) is 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol is CC(N)C(O)c1sncc1Br.
What is the InChIKey of 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is CVPOHODOUUSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-3(8)5(10)6-4(7)2-9-11-6/h2-3,5,10H,8H2,1H3.
What are the key properties of 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol?
2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 237.12 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 84699871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).