5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol

C14H10BrNO2S — CID 112730271

IUPAC5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nc3cc(Br)ccc3s2)cc1O
InChIInChI=1S/C14H10BrNO2S/c1-18-12-4-2-8(6-11(12)17)14-16-10-7-9(15)3-5-13(10)19-14/h2-7,17H,1H3
InChIKeyQGVROMRWDDAJRO-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.44
Rot. Bonds2

About 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol

5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol (PubChem CID 112730271) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol
PubChem CID112730271
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nc3cc(Br)ccc3s2)cc1O
InChIInChI=1S/C14H10BrNO2S/c1-18-12-4-2-8(6-11(12)17)14-16-10-7-9(15)3-5-13(10)19-14/h2-7,17H,1H3
InChIKeyQGVROMRWDDAJRO-UHFFFAOYSA-N
XLogP4.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
2-amino-5-(5-bromo-1,3-benzothiazol-2-yl)phenol
CID 60837711
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
5-(5-bromo-1,3-benzothiazol-2-yl)benzene-1,3-diamine
CID 107811559
5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
CID 11514632
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol
CID 142714315
2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol
CID 136789792
4-(1,3-benzothiazol-2-yl)-2-[5-(1,3-benzothiazol-2-yl)-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 135767121
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol?
The IUPAC name of 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol (CID 112730271) is 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol?
The canonical SMILES for 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol is COc1ccc(-c2nc3cc(Br)ccc3s2)cc1O.
What is the InChIKey of 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol?
The InChIKey is QGVROMRWDDAJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c1-18-12-4-2-8(6-11(12)17)14-16-10-7-9(15)3-5-13(10)19-14/h2-7,17H,1H3.
What are the key properties of 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol?
5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol has a molecular weight of 336.21 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol is sourced from PubChem (CID 112730271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).