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

C10H12BrNO2S — CID 97288722

IUPAC2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol
SMILESCOc1cc([C@@H]2NCCS2)cc(Br)c1O
InChIInChI=1S/C10H12BrNO2S/c1-14-8-5-6(4-7(11)9(8)13)10-12-2-3-15-10/h4-5,10,12-13H,2-3H2,1H3/t10-/m1/s1
InChIKeyXHSIPPTUGCKMOS-SNVBAGLBSA-N
MW290.18 g/mol
LogP2.50
Rot. Bonds2

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

2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol (PubChem CID 97288722) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol
PubChem CID97288722
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol
SMILESCOc1cc([C@@H]2NCCS2)cc(Br)c1O
InChIInChI=1S/C10H12BrNO2S/c1-14-8-5-6(4-7(11)9(8)13)10-12-2-3-15-10/h4-5,10,12-13H,2-3H2,1H3/t10-/m1/s1
InChIKeyXHSIPPTUGCKMOS-SNVBAGLBSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol (CID 97288722) is 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol is COc1cc([C@@H]2NCCS2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol?
The InChIKey is XHSIPPTUGCKMOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-14-8-5-6(4-7(11)9(8)13)10-12-2-3-15-10/h4-5,10,12-13H,2-3H2,1H3/t10-/m1/s1.
What are the key properties of 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol?
2-bromo-6-methoxy-4-[(2R)-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 2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol is sourced from PubChem (CID 97288722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).