2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde

C10H6BrNO2S — CID 84715258

IUPAC2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Br)sc1-c1cccc(O)c1
InChIInChI=1S/C10H6BrNO2S/c11-10-12-8(5-13)9(15-10)6-2-1-3-7(14)4-6/h1-5,14H
InChIKeyMQABUATVRGLIRF-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.09
Rot. Bonds2

About 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde

2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 84715258) has the molecular formula C10H6BrNO2S and a molecular weight of 284.13 g/mol. Its IUPAC name is 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID84715258
Molecular FormulaC10H6BrNO2S
Molecular Weight284.13 g/mol
Exact Mass282.93
IUPAC Name2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Br)sc1-c1cccc(O)c1
InChIInChI=1S/C10H6BrNO2S/c11-10-12-8(5-13)9(15-10)6-2-1-3-7(14)4-6/h1-5,14H
InChIKeyMQABUATVRGLIRF-UHFFFAOYSA-N
XLogP3.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde 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-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 84715257
2-chloro-5-(3-hydroxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 84688770
2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 84700893
4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde
CID 84711961
2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
CID 15359783
5-(3-bromophenyl)thiadiazole-4-carbaldehyde
CID 83913567
3-[4,5-bis(3-hydroxyphenyl)thiophen-2-yl]phenol
CID 44542800
3-[3-(3-bromophenyl)phenyl]phenol
CID 139685507
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
CID 115028639
2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
CID 115028666

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde (CID 84715258) is 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde is O=Cc1nc(Br)sc1-c1cccc(O)c1.
What is the InChIKey of 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is MQABUATVRGLIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2S/c11-10-12-8(5-13)9(15-10)6-2-1-3-7(14)4-6/h1-5,14H.
What are the key properties of 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 284.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84715258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).