3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide

C20H16N4O3S — CID 162645490

IUPAC3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
SMILESCOc1ccc(-c2nc3sccn3c2/C=N/NC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C20H16N4O3S/c1-27-16-7-5-13(6-8-16)18-17(24-9-10-28-20(24)22-18)12-21-23-19(26)14-3-2-4-15(25)11-14/h2-12,25H,1H3,(H,23,26)/b21-12+
InChIKeyCKKXICMZZGLDQA-CIAFOILYSA-N
MW392.44 g/mol
LogP3.54
Rot. Bonds5

About 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide

3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide (PubChem CID 162645490) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
PubChem CID162645490
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
SMILESCOc1ccc(-c2nc3sccn3c2/C=N/NC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C20H16N4O3S/c1-27-16-7-5-13(6-8-16)18-17(24-9-10-28-20(24)22-18)12-21-23-19(26)14-3-2-4-15(25)11-14/h2-12,25H,1H3,(H,23,26)/b21-12+
InChIKeyCKKXICMZZGLDQA-CIAFOILYSA-N
XLogP3.54
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide (CID 162645490) is 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide is COc1ccc(-c2nc3sccn3c2/C=N/NC(=O)c2cccc(O)c2)cc1.
What is the InChIKey of 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The InChIKey is CKKXICMZZGLDQA-CIAFOILYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-27-16-7-5-13(6-8-16)18-17(24-9-10-28-20(24)22-18)12-21-23-19(26)14-3-2-4-15(25)11-14/h2-12,25H,1H3,(H,23,26)/b21-12+.
What are the key properties of 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide is sourced from PubChem (CID 162645490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).