2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde

C10H6BrNOS — CID 61283086

IUPAC2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cccc(Br)c2)s1
InChIInChI=1S/C10H6BrNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H
InChIKeyPSDVEPTYVROPCN-UHFFFAOYSA-N
MW268.13 g/mol
LogP3.39
Rot. Bonds2

About 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde

2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 61283086) has the molecular formula C10H6BrNOS and a molecular weight of 268.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde
PubChem CID61283086
Molecular FormulaC10H6BrNOS
Molecular Weight268.13 g/mol
Exact Mass266.94
IUPAC Name2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cccc(Br)c2)s1
InChIInChI=1S/C10H6BrNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H
InChIKeyPSDVEPTYVROPCN-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde (CID 61283086) is 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2cccc(Br)c2)s1.
What is the InChIKey of 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is PSDVEPTYVROPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H.
What are the key properties of 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde?
2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 268.13 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 61283086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).