6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C17H11ClN2O2S — CID 82036161

IUPAC6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cc(-c2nc3scc(-c4ccco4)n3c2C=O)ccc1Cl
InChIInChI=1S/C17H11ClN2O2S/c1-10-7-11(4-5-12(10)18)16-13(8-21)20-14(9-23-17(20)19-16)15-3-2-6-22-15/h2-9H,1H3
InChIKeyWYMBCNNRFHRPML-UHFFFAOYSA-N
MW342.81 g/mol
LogP5.10
Rot. Bonds3

About 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 82036161) has the molecular formula C17H11ClN2O2S and a molecular weight of 342.81 g/mol. Its IUPAC name is 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID82036161
Molecular FormulaC17H11ClN2O2S
Molecular Weight342.81 g/mol
Exact Mass342.02
IUPAC Name6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cc(-c2nc3scc(-c4ccco4)n3c2C=O)ccc1Cl
InChIInChI=1S/C17H11ClN2O2S/c1-10-7-11(4-5-12(10)18)16-13(8-21)20-14(9-23-17(20)19-16)15-3-2-6-22-15/h2-9H,1H3
InChIKeyWYMBCNNRFHRPML-UHFFFAOYSA-N
XLogP5.10
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.81
LogP ≤ 55.10
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-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 82036161) is 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1cc(-c2nc3scc(-c4ccco4)n3c2C=O)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is WYMBCNNRFHRPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2S/c1-10-7-11(4-5-12(10)18)16-13(8-21)20-14(9-23-17(20)19-16)15-3-2-6-22-15/h2-9H,1H3.
What are the key properties of 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 342.81 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 82036161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).