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

C16H10N2OS — CID 3747079

IUPAC6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc3ccccc3c2)nc2sccn12
InChIInChI=1S/C16H10N2OS/c19-10-14-15(17-16-18(14)7-8-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyBTTPNMZBPGOXNJ-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.03
Rot. Bonds2

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

6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 3747079) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID3747079
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc3ccccc3c2)nc2sccn12
InChIInChI=1S/C16H10N2OS/c19-10-14-15(17-16-18(14)7-8-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyBTTPNMZBPGOXNJ-UHFFFAOYSA-N
XLogP4.03
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.03
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 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 3747079) is 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2ccc3ccccc3c2)nc2sccn12.
What is the InChIKey of 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is BTTPNMZBPGOXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c19-10-14-15(17-16-18(14)7-8-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H.
What are the key properties of 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 278.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 3747079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).