N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide

C23H19F2N3O5S — CID 73296384

About N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide

N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide (PubChem CID 73296384) has the molecular formula C23H19F2N3O5S and a molecular weight of 487.48 g/mol. Its IUPAC name is N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide
• PubChem CID: 73296384
• Molecular Formula: C23H19F2N3O5S
• Molecular Weight: 487.48 g/mol
• Exact Mass: 487.10
• IUPAC Name: N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide
• SMILES: COc1cc(/C=c2\sc3nc(-c4ccc(C(=O)N(C)OCCF)cc4)cn3c2=O)cc(F)c1O
• InChI: InChI=1S/C23H19F2N3O5S/c1-27(33-8-7-24)21(30)15-5-3-14(4-6-15)17-12-28-22(31)19(34-23(28)26-17)11-13-9-16(25)20(29)18(10-13)32-2/h3-6,9-12,29H,7-8H2,1-2H3/b19-11-
• InChIKey: ZWGBHYRVTKCQRQ-ODLFYWEKSA-N
• XLogP: 2.80
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide?

The IUPAC name of N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide (CID 73296384) is N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide.

What is the SMILES notation for N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide?

The canonical SMILES for N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide is COc1cc(/C=c2\sc3nc(-c4ccc(C(=O)N(C)OCCF)cc4)cn3c2=O)cc(F)c1O.

What is the InChIKey of N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide?

The InChIKey is ZWGBHYRVTKCQRQ-ODLFYWEKSA-N. The full InChI is InChI=1S/C23H19F2N3O5S/c1-27(33-8-7-24)21(30)15-5-3-14(4-6-15)17-12-28-22(31)19(34-23(28)26-17)11-13-9-16(25)20(29)18(10-13)32-2/h3-6,9-12,29H,7-8H2,1-2H3/b19-11-.

What are the key properties of N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide?

N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide has a molecular weight of 487.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide is sourced from PubChem (CID 73296384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).