6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H7ClN2OS2 — CID 2799720

IUPAC6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C12H7ClN2OS2/c13-8-1-3-9(4-2-8)18-11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChIKeyLVNVTDKIAXLVOY-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.01
Rot. Bonds3

About 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 2799720) has the molecular formula C12H7ClN2OS2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID2799720
Molecular FormulaC12H7ClN2OS2
Molecular Weight294.79 g/mol
Exact Mass293.97
IUPAC Name6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C12H7ClN2OS2/c13-8-1-3-9(4-2-8)18-11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChIKeyLVNVTDKIAXLVOY-UHFFFAOYSA-N
XLogP4.01
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 2799720) is 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(Sc2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is LVNVTDKIAXLVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS2/c13-8-1-3-9(4-2-8)18-11-10(7-16)15-5-6-17-12(15)14-11/h1-7H.
What are the key properties of 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 294.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 2799720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).