6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C13H9FN2OS — CID 90477313

IUPAC6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1csc2nc(-c3ccccc3F)c(C=O)n12
InChIInChI=1S/C13H9FN2OS/c1-8-7-18-13-15-12(11(6-17)16(8)13)9-4-2-3-5-10(9)14/h2-7H,1H3
InChIKeyJFMVMULHTWQXRC-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.32
Rot. Bonds2

About 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 90477313) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID90477313
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1csc2nc(-c3ccccc3F)c(C=O)n12
InChIInChI=1S/C13H9FN2OS/c1-8-7-18-13-15-12(11(6-17)16(8)13)9-4-2-3-5-10(9)14/h2-7H,1H3
InChIKeyJFMVMULHTWQXRC-UHFFFAOYSA-N
XLogP3.32
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.32
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-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 90477313) is 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1csc2nc(-c3ccccc3F)c(C=O)n12.
What is the InChIKey of 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is JFMVMULHTWQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c1-8-7-18-13-15-12(11(6-17)16(8)13)9-4-2-3-5-10(9)14/h2-7H,1H3.
What are the key properties of 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 260.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 90477313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).