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

C6H8BrNOS — CID 84687332

IUPAC2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1sncc1Br
InChIInChI=1S/C6H8BrNOS/c1-6(2,9)5-4(7)3-8-10-5/h3,9H,1-2H3
InChIKeyPWXJYYKVUMHMLI-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.13
Rot. Bonds1

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

2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol (PubChem CID 84687332) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol
PubChem CID84687332
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1sncc1Br
InChIInChI=1S/C6H8BrNOS/c1-6(2,9)5-4(7)3-8-10-5/h3,9H,1-2H3
InChIKeyPWXJYYKVUMHMLI-UHFFFAOYSA-N
XLogP2.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromo-1,2-thiazol-5-yl)-4,4-difluorocyclohex-2-en-1-ol
CID 165787684
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
1-(4-Bromoisothiazol-5-yl)ethan-1-ol
CID 84675764
1-(4-Methylisothiazol-5-yl)ethan-1-ol
CID 164921472
2-(4-Chloro-1,2-thiazol-5-yl)propan-2-ol
CID 84656259
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699872
2-(Aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol
CID 165446471
1-(4-Bromo-1,2-thiazol-5-yl)-4,4-dimethylcyclohex-2-en-1-ol
CID 165497236
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-ol
CID 165779174
1-(4-Bromo-1,2-thiazol-5-yl)-4-methylcyclohex-2-en-1-ol
CID 165786942
1-[(4-Bromo-1,2-thiazol-5-yl)methyl]-4-methylcyclohex-2-en-1-ol
CID 165786943
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)-2-methylpropan-1-ol
CID 165788107

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol (CID 84687332) is 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol is CC(C)(O)c1sncc1Br.
What is the InChIKey of 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol?
The InChIKey is PWXJYYKVUMHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNOS/c1-6(2,9)5-4(7)3-8-10-5/h3,9H,1-2H3.
What are the key properties of 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol?
2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol has a molecular weight of 222.11 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,2-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 84687332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).