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

C13H14BrNO2S — CID 84608504

IUPAC[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
SMILESCCc1cc(-c2nc(CO)c(Br)s2)ccc1OC
InChIInChI=1S/C13H14BrNO2S/c1-3-8-6-9(4-5-11(8)17-2)13-15-10(7-16)12(14)18-13/h4-6,16H,3,7H2,1-2H3
InChIKeyOUZSYWZJEKRBHV-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.64
Rot. Bonds4

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

[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol (PubChem CID 84608504) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
PubChem CID84608504
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
SMILESCCc1cc(-c2nc(CO)c(Br)s2)ccc1OC
InChIInChI=1S/C13H14BrNO2S/c1-3-8-6-9(4-5-11(8)17-2)13-15-10(7-16)12(14)18-13/h4-6,16H,3,7H2,1-2H3
InChIKeyOUZSYWZJEKRBHV-UHFFFAOYSA-N
XLogP3.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-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

2-(3-ethyl-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886049
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
[2-(4-ethoxy-3-methoxyphenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099049
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
N-[[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106951183
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430204
[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol (CID 84608504) is [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol is CCc1cc(-c2nc(CO)c(Br)s2)ccc1OC.
What is the InChIKey of [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is OUZSYWZJEKRBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-3-8-6-9(4-5-11(8)17-2)13-15-10(7-16)12(14)18-13/h4-6,16H,3,7H2,1-2H3.
What are the key properties of [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol?
[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 328.23 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 84608504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).