2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C21H17FN2OS — CID 39198507

IUPAC2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2nc(-c3ccc(F)cc3)c(C=O)n2c1-c1ccc(C)cc1
InChIInChI=1S/C21H17FN2OS/c1-3-18-20(15-6-4-13(2)5-7-15)24-17(12-25)19(23-21(24)26-18)14-8-10-16(22)11-9-14/h4-12H,3H2,1-2H3
InChIKeyNULNTELCBVWJLL-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.55
Rot. Bonds4

About 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198507) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198507
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC Name2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2nc(-c3ccc(F)cc3)c(C=O)n2c1-c1ccc(C)cc1
InChIInChI=1S/C21H17FN2OS/c1-3-18-20(15-6-4-13(2)5-7-15)24-17(12-25)19(23-21(24)26-18)14-8-10-16(22)11-9-14/h4-12H,3H2,1-2H3
InChIKeyNULNTELCBVWJLL-UHFFFAOYSA-N
XLogP5.55
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.55
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 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198507) is 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCc1sc2nc(-c3ccc(F)cc3)c(C=O)n2c1-c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is NULNTELCBVWJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2OS/c1-3-18-20(15-6-4-13(2)5-7-15)24-17(12-25)19(23-21(24)26-18)14-8-10-16(22)11-9-14/h4-12H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 364.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluorophenyl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).