2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C19H15N3O2S — CID 155280682

IUPAC2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESNOCc1ccc(-c2cn3c(C=O)c(-c4ccccc4)nc3s2)cc1
InChIInChI=1S/C19H15N3O2S/c20-24-12-13-6-8-14(9-7-13)17-10-22-16(11-23)18(21-19(22)25-17)15-4-2-1-3-5-15/h1-11H,12,20H2
InChIKeyRPEIQXHUXQGUOA-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.93
Rot. Bonds5

About 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 155280682) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID155280682
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESNOCc1ccc(-c2cn3c(C=O)c(-c4ccccc4)nc3s2)cc1
InChIInChI=1S/C19H15N3O2S/c20-24-12-13-6-8-14(9-7-13)17-10-22-16(11-23)18(21-19(22)25-17)15-4-2-1-3-5-15/h1-11H,12,20H2
InChIKeyRPEIQXHUXQGUOA-UHFFFAOYSA-N
XLogP3.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 155280682) is 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is NOCc1ccc(-c2cn3c(C=O)c(-c4ccccc4)nc3s2)cc1.
What is the InChIKey of 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is RPEIQXHUXQGUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c20-24-12-13-6-8-14(9-7-13)17-10-22-16(11-23)18(21-19(22)25-17)15-4-2-1-3-5-15/h1-11H,12,20H2.
What are the key properties of 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 349.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 155280682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).