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

C11H9BrClNO2S — CID 80693554

IUPAC[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(Oc2nc(Cl)c(CO)s2)c(Br)c1
InChIInChI=1S/C11H9BrClNO2S/c1-6-2-3-8(7(12)4-6)16-11-14-10(13)9(5-15)17-11/h2-4,15H,5H2,1H3
InChIKeyXCMKJARSOVBKMS-UHFFFAOYSA-N
MW334.62 g/mol
LogP4.15
Rot. Bonds3

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

[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol (PubChem CID 80693554) has the molecular formula C11H9BrClNO2S and a molecular weight of 334.62 g/mol. Its IUPAC name is [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
PubChem CID80693554
Molecular FormulaC11H9BrClNO2S
Molecular Weight334.62 g/mol
Exact Mass332.92
IUPAC Name[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(Oc2nc(Cl)c(CO)s2)c(Br)c1
InChIInChI=1S/C11H9BrClNO2S/c1-6-2-3-8(7(12)4-6)16-11-14-10(13)9(5-15)17-11/h2-4,15H,5H2,1H3
InChIKeyXCMKJARSOVBKMS-UHFFFAOYSA-N
XLogP4.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
CID 80692917
[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80693125
[2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol
CID 80692718
[4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol
CID 80692426
[2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692615
[4-chloro-2-(2-methyl-3-nitrophenoxy)-1,3-thiazol-5-yl]methanol
CID 80693655
[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol
CID 113387912
4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole
CID 80687597
[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
CID 114064332
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467768
4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole
CID 73012766
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol (CID 80693554) is [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol is Cc1ccc(Oc2nc(Cl)c(CO)s2)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The InChIKey is XCMKJARSOVBKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2S/c1-6-2-3-8(7(12)4-6)16-11-14-10(13)9(5-15)17-11/h2-4,15H,5H2,1H3.
What are the key properties of [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol has a molecular weight of 334.62 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).