3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one

C6H8BrNO2S — CID 54253012

IUPAC3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCCBr
InChIInChI=1S/C6H8BrNO2S/c7-2-1-3-8-5(9)4-11-6(8)10/h4,9H,1-3H2
InChIKeyQYBUNSZYFUIBER-UHFFFAOYSA-N
MW238.11 g/mol
LogP1.40
Rot. Bonds3

About 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one

3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one (PubChem CID 54253012) has the molecular formula C6H8BrNO2S and a molecular weight of 238.11 g/mol. Its IUPAC name is 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one
PubChem CID54253012
Molecular FormulaC6H8BrNO2S
Molecular Weight238.11 g/mol
Exact Mass236.95
IUPAC Name3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCCBr
InChIInChI=1S/C6H8BrNO2S/c7-2-1-3-8-5(9)4-11-6(8)10/h4,9H,1-3H2
InChIKeyQYBUNSZYFUIBER-UHFFFAOYSA-N
XLogP1.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Bromobutyl)-4-hydroxy-1,3-thiazol-2-one
CID 53748163
3-(3-Bromobutyl)-4-hydroxy-1,3-thiazol-2-one
CID 54032066
3-(2-Bromoethyl)-4-hydroxy-1,3-thiazol-2-one
CID 54406320
3-(6-Bromohexyl)-4-hydroxy-1,3-thiazol-2-one
CID 91455730
4-Hydroxy-3-propyl-1,3-thiazol-2-one
CID 123136344
3-(3-Bromopropyl)-1,3-thiazol-2-one
CID 63312791
3-(4-Bromobutyl)-2,3-dihydro-1,3-thiazol-2-one
CID 63312836

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one (CID 54253012) is 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one is O=c1scc(O)n1CCCBr.
What is the InChIKey of 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is QYBUNSZYFUIBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2S/c7-2-1-3-8-5(9)4-11-6(8)10/h4,9H,1-3H2.
What are the key properties of 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one?
3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 238.11 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropyl)-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 54253012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).