6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H5BrCl2N2O2S — CID 107658896

IUPAC6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Oc2cc(Cl)c(Br)cc2Cl)nc2sccn12
InChIInChI=1S/C12H5BrCl2N2O2S/c13-6-3-8(15)10(4-7(6)14)19-11-9(5-18)17-1-2-20-12(17)16-11/h1-5H
InChIKeyFCRXUDUDEFZDMV-UHFFFAOYSA-N
MW392.06 g/mol
LogP5.07
Rot. Bonds3

About 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 107658896) has the molecular formula C12H5BrCl2N2O2S and a molecular weight of 392.06 g/mol. Its IUPAC name is 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID107658896
Molecular FormulaC12H5BrCl2N2O2S
Molecular Weight392.06 g/mol
Exact Mass389.86
IUPAC Name6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Oc2cc(Cl)c(Br)cc2Cl)nc2sccn12
InChIInChI=1S/C12H5BrCl2N2O2S/c13-6-3-8(15)10(4-7(6)14)19-11-9(5-18)17-1-2-20-12(17)16-11/h1-5H
InChIKeyFCRXUDUDEFZDMV-UHFFFAOYSA-N
XLogP5.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.06
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 107659553
6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43589938
5-(chloromethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476068
6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43479767
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 112728119
6-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 116792967
6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43554836
6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107169612
6-(2-ethoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780522
6-[(4-chlorophenyl)methoxy]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780516
N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476755

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 107658896) is 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(Oc2cc(Cl)c(Br)cc2Cl)nc2sccn12.
What is the InChIKey of 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is FCRXUDUDEFZDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl2N2O2S/c13-6-3-8(15)10(4-7(6)14)19-11-9(5-18)17-1-2-20-12(17)16-11/h1-5H.
What are the key properties of 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 392.06 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 107658896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).