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

C14H12FN3OS — CID 16780817

IUPAC6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCN(Cc1ccc(F)cc1)c1nc2sccn2c1C=O
InChIInChI=1S/C14H12FN3OS/c1-17(8-10-2-4-11(15)5-3-10)13-12(9-19)18-6-7-20-14(18)16-13/h2-7,9H,8H2,1H3
InChIKeyWWKVZQFYXDQZMP-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.98
Rot. Bonds4

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

6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 16780817) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID16780817
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCN(Cc1ccc(F)cc1)c1nc2sccn2c1C=O
InChIInChI=1S/C14H12FN3OS/c1-17(8-10-2-4-11(15)5-3-10)13-12(9-19)18-6-7-20-14(18)16-13/h2-7,9H,8H2,1H3
InChIKeyWWKVZQFYXDQZMP-UHFFFAOYSA-N
XLogP2.98
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.98
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-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 16780817) is 6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CN(Cc1ccc(F)cc1)c1nc2sccn2c1C=O.
What is the InChIKey of 6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is WWKVZQFYXDQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-17(8-10-2-4-11(15)5-3-10)13-12(9-19)18-6-7-20-14(18)16-13/h2-7,9H,8H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 289.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 16780817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).