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

C15H14FN3OS — CID 62979008

IUPAC6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(c1ccccc1F)N(C)c1nc2sccn2c1C=O
InChIInChI=1S/C15H14FN3OS/c1-10(11-5-3-4-6-12(11)16)18(2)14-13(9-20)19-7-8-21-15(19)17-14/h3-10H,1-2H3
InChIKeyUHYXYBSATFCUFC-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.54
Rot. Bonds4

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

6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 62979008) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID62979008
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(c1ccccc1F)N(C)c1nc2sccn2c1C=O
InChIInChI=1S/C15H14FN3OS/c1-10(11-5-3-4-6-12(11)16)18(2)14-13(9-20)19-7-8-21-15(19)17-14/h3-10H,1-2H3
InChIKeyUHYXYBSATFCUFC-UHFFFAOYSA-N
XLogP3.54
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.54
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-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 62979008) is 6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC(c1ccccc1F)N(C)c1nc2sccn2c1C=O.
What is the InChIKey of 6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is UHYXYBSATFCUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-10(11-5-3-4-6-12(11)16)18(2)14-13(9-20)19-7-8-21-15(19)17-14/h3-10H,1-2H3.
What are the key properties of 6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 303.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 62979008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).