3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C16H8Cl2N2OS2 — CID 39198748

IUPAC3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cccs2)nc2scc(-c3ccc(Cl)cc3Cl)n12
InChIInChI=1S/C16H8Cl2N2OS2/c17-9-3-4-10(11(18)6-9)13-8-23-16-19-15(12(7-21)20(13)16)14-2-1-5-22-14/h1-8H
InChIKeyKLNQUTLDJVQIEC-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.91
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198748) has the molecular formula C16H8Cl2N2OS2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198748
Molecular FormulaC16H8Cl2N2OS2
Molecular Weight379.29 g/mol
Exact Mass377.95
IUPAC Name3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cccs2)nc2scc(-c3ccc(Cl)cc3Cl)n12
InChIInChI=1S/C16H8Cl2N2OS2/c17-9-3-4-10(11(18)6-9)13-8-23-16-19-15(12(7-21)20(13)16)14-2-1-5-22-14/h1-8H
InChIKeyKLNQUTLDJVQIEC-UHFFFAOYSA-N
XLogP5.91
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.91
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

3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198498
3-(1,3-benzodioxol-5-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198778
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198772
3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035351
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide
CID 108728681
3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198429
3-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068416
2-[5-(2,4-dichlorophenyl)pyrazol-1-yl]-4-thiophen-2-yl-1,3-thiazole
CID 3803122
6-(2,4-dichlorophenyl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82367729
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780706

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198748) is 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2cccs2)nc2scc(-c3ccc(Cl)cc3Cl)n12.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is KLNQUTLDJVQIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2OS2/c17-9-3-4-10(11(18)6-9)13-8-23-16-19-15(12(7-21)20(13)16)14-2-1-5-22-14/h1-8H.
What are the key properties of 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 379.29 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).