[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol

C11H9Br2NO2S — CID 131867498

IUPAC[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(-c2nc(Br)sc2CO)cc1Br
InChIInChI=1S/C11H9Br2NO2S/c1-16-8-3-2-6(4-7(8)12)10-9(5-15)17-11(13)14-10/h2-4,15H,5H2,1H3
InChIKeyYHNBJKNZJRAKOK-UHFFFAOYSA-N
MW379.07 g/mol
LogP3.84
Rot. Bonds3

About [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol

[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 131867498) has the molecular formula C11H9Br2NO2S and a molecular weight of 379.07 g/mol. Its IUPAC name is [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID131867498
Molecular FormulaC11H9Br2NO2S
Molecular Weight379.07 g/mol
Exact Mass376.87
IUPAC Name[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(-c2nc(Br)sc2CO)cc1Br
InChIInChI=1S/C11H9Br2NO2S/c1-16-8-3-2-6(4-7(8)12)10-9(5-15)17-11(13)14-10/h2-4,15H,5H2,1H3
InChIKeyYHNBJKNZJRAKOK-UHFFFAOYSA-N
XLogP3.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.07
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866785
[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867508
[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82133850
2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 131867399
[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82131960
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
[4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol
CID 131867449
[4-(5-bromo-2-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866787
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
N-[[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106951183

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol (CID 131867498) is [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol is COc1ccc(-c2nc(Br)sc2CO)cc1Br.
What is the InChIKey of [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is YHNBJKNZJRAKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO2S/c1-16-8-3-2-6(4-7(8)12)10-9(5-15)17-11(13)14-10/h2-4,15H,5H2,1H3.
What are the key properties of [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 379.07 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131867498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).