N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C23H17FN4O2S2 — CID 46647075

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 46647075) has the molecular formula C23H17FN4O2S2 and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• PubChem CID: 46647075
• Molecular Formula: C23H17FN4O2S2
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.08
• IUPAC Name: N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2cccc(C(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)c2)cs1
• InChI: InChI=1S/C23H17FN4O2S2/c1-14-25-18(13-32-14)12-30-19-4-2-3-16(11-19)22(29)27-21-20(15-5-7-17(24)8-6-15)26-23-28(21)9-10-31-23/h2-11,13H,12H2,1H3,(H,27,29)
• InChIKey: OJEUYRNTRWOVCP-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 46647075) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)c2)cs1.

What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The InChIKey is OJEUYRNTRWOVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2S2/c1-14-25-18(13-32-14)12-30-19-4-2-3-16(11-19)22(29)27-21-20(15-5-7-17(24)8-6-15)26-23-28(21)9-10-31-23/h2-11,13H,12H2,1H3,(H,27,29).

What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 464.55 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46647075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).