6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H6Cl2N2OS2 — CID 63802182

IUPAC6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Sc2cc(Cl)ccc2Cl)nc2sccn12
InChIInChI=1S/C12H6Cl2N2OS2/c13-7-1-2-8(14)10(5-7)19-11-9(6-17)16-3-4-18-12(16)15-11/h1-6H
InChIKeyFCIVBNFOQLWQNV-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.67
Rot. Bonds3

About 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 63802182) has the molecular formula C12H6Cl2N2OS2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID63802182
Molecular FormulaC12H6Cl2N2OS2
Molecular Weight329.23 g/mol
Exact Mass327.93
IUPAC Name6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Sc2cc(Cl)ccc2Cl)nc2sccn12
InChIInChI=1S/C12H6Cl2N2OS2/c13-7-1-2-8(14)10(5-7)19-11-9(6-17)16-3-4-18-12(16)15-11/h1-6H
InChIKeyFCIVBNFOQLWQNV-UHFFFAOYSA-N
XLogP4.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820287
6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63802355
6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107772122
(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
CID 170876618
6-[(4-chlorophenyl)methoxy]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780516
6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095068
[6-(2-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 55239467
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-methylpyrimidine-5-carbaldehyde
CID 80726765
6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43554836
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
CID 40517031
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 63802182) is 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(Sc2cc(Cl)ccc2Cl)nc2sccn12.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is FCIVBNFOQLWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS2/c13-7-1-2-8(14)10(5-7)19-11-9(6-17)16-3-4-18-12(16)15-11/h1-6H.
What are the key properties of 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 329.23 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 63802182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).