3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C17H12N2OS — CID 39080225

IUPAC3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1csc2nc(-c3ccc4ccccc4c3)c(C=O)n12
InChIInChI=1S/C17H12N2OS/c1-11-10-21-17-18-16(15(9-20)19(11)17)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,1H3
InChIKeyRAZYLYBQUOJXSG-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.34
Rot. Bonds2

About 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39080225) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39080225
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1csc2nc(-c3ccc4ccccc4c3)c(C=O)n12
InChIInChI=1S/C17H12N2OS/c1-11-10-21-17-18-16(15(9-20)19(11)17)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,1H3
InChIKeyRAZYLYBQUOJXSG-UHFFFAOYSA-N
XLogP4.34
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39080225) is 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1csc2nc(-c3ccc4ccccc4c3)c(C=O)n12.
What is the InChIKey of 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is RAZYLYBQUOJXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-10-21-17-18-16(15(9-20)19(11)17)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,1H3.
What are the key properties of 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 292.36 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39080225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).