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

C13H14BrNO4S — CID 131867508

IUPAC[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cc(-c2nc(Br)sc2CO)cc(OC)c1OC
InChIInChI=1S/C13H14BrNO4S/c1-17-8-4-7(5-9(18-2)12(8)19-3)11-10(6-16)20-13(14)15-11/h4-5,16H,6H2,1-3H3
InChIKeyKSRWHWHIVQWHEA-UHFFFAOYSA-N
MW360.23 g/mol
LogP3.09
Rot. Bonds5

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

[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 131867508) has the molecular formula C13H14BrNO4S and a molecular weight of 360.23 g/mol. Its IUPAC name is [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID131867508
Molecular FormulaC13H14BrNO4S
Molecular Weight360.23 g/mol
Exact Mass358.98
IUPAC Name[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cc(-c2nc(Br)sc2CO)cc(OC)c1OC
InChIInChI=1S/C13H14BrNO4S/c1-17-8-4-7(5-9(18-2)12(8)19-3)11-10(6-16)20-13(14)15-11/h4-5,16H,6H2,1-3H3
InChIKeyKSRWHWHIVQWHEA-UHFFFAOYSA-N
XLogP3.09
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-bromo-4-(3,4,5-trimethoxyphenyl)-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

[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866785
[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82133850
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
[2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131866725
[4-(5-bromo-2-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866787
[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82131960
2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 131867399
4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 4262449
[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 84608504
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol (CID 131867508) is [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol is COc1cc(-c2nc(Br)sc2CO)cc(OC)c1OC.
What is the InChIKey of [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is KSRWHWHIVQWHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4S/c1-17-8-4-7(5-9(18-2)12(8)19-3)11-10(6-16)20-13(14)15-11/h4-5,16H,6H2,1-3H3.
What are the key properties of [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 360.23 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131867508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).