2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde

C8H4BrNO2S — CID 106886413

IUPAC2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2occc2Br)s1
InChIInChI=1S/C8H4BrNO2S/c9-6-1-2-12-7(6)8-10-3-5(4-11)13-8/h1-4H
InChIKeyQELQQLCAMAESKJ-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.98
Rot. Bonds2

About 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde

2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 106886413) has the molecular formula C8H4BrNO2S and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID106886413
Molecular FormulaC8H4BrNO2S
Molecular Weight258.10 g/mol
Exact Mass256.91
IUPAC Name2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2occc2Br)s1
InChIInChI=1S/C8H4BrNO2S/c9-6-1-2-12-7(6)8-10-3-5(4-11)13-8/h1-4H
InChIKeyQELQQLCAMAESKJ-UHFFFAOYSA-N
XLogP2.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol
CID 106889598
2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 146635967
2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 107281187
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
3-bromo-2-(3-bromofuran-2-yl)furan
CID 626140
2-(2-bromo-3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 131162374
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 115528106
2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
CID 62318682
2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde
CID 130517750
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 61282299
dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol
CID 167660298

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde (CID 106886413) is 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2occc2Br)s1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is QELQQLCAMAESKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S/c9-6-1-2-12-7(6)8-10-3-5(4-11)13-8/h1-4H.
What are the key properties of 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 258.10 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 106886413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).