4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol

C10H12BrNO2S — CID 25161120

IUPAC4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol
SMILESCOc1cc(Br)cc(C2NCCS2)c1O
InChIInChI=1S/C10H12BrNO2S/c1-14-8-5-6(11)4-7(9(8)13)10-12-2-3-15-10/h4-5,10,12-13H,2-3H2,1H3
InChIKeyGTTMAAKFNJFEQG-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.50
Rot. Bonds2

About 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol

4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol (PubChem CID 25161120) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol
PubChem CID25161120
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol
SMILESCOc1cc(Br)cc(C2NCCS2)c1O
InChIInChI=1S/C10H12BrNO2S/c1-14-8-5-6(11)4-7(9(8)13)10-12-2-3-15-10/h4-5,10,12-13H,2-3H2,1H3
InChIKeyGTTMAAKFNJFEQG-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol?
The IUPAC name of 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol (CID 25161120) is 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol is COc1cc(Br)cc(C2NCCS2)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol?
The InChIKey is GTTMAAKFNJFEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-14-8-5-6(11)4-7(9(8)13)10-12-2-3-15-10/h4-5,10,12-13H,2-3H2,1H3.
What are the key properties of 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol?
4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol has a molecular weight of 290.18 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-(1,3-thiazolidin-2-yl)phenol is sourced from PubChem (CID 25161120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).