4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde

C8H2Br2N2O2S2 — CID 101000704

IUPAC4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(-c2nc(Br)c(C=O)s2)nc1Br
InChIInChI=1S/C8H2Br2N2O2S2/c9-5-3(1-13)15-7(11-5)8-12-6(10)4(2-14)16-8/h1-2H
InChIKeyUOTKQOPPUNKOOK-UHFFFAOYSA-N
MW382.06 g/mol
LogP3.42
Rot. Bonds3

About 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde

4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 101000704) has the molecular formula C8H2Br2N2O2S2 and a molecular weight of 382.06 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID101000704
Molecular FormulaC8H2Br2N2O2S2
Molecular Weight382.06 g/mol
Exact Mass379.79
IUPAC Name4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(-c2nc(Br)c(C=O)s2)nc1Br
InChIInChI=1S/C8H2Br2N2O2S2/c9-5-3(1-13)15-7(11-5)8-12-6(10)4(2-14)16-8/h1-2H
InChIKeyUOTKQOPPUNKOOK-UHFFFAOYSA-N
XLogP3.42
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.06
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde (CID 101000704) is 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(-c2nc(Br)c(C=O)s2)nc1Br.
What is the InChIKey of 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is UOTKQOPPUNKOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Br2N2O2S2/c9-5-3(1-13)15-7(11-5)8-12-6(10)4(2-14)16-8/h1-2H.
What are the key properties of 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 382.06 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 101000704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).