[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol

C₁₈H₁₃BrN₂OS — CID 155518507

About [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol

[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol (PubChem CID 155518507) has the molecular formula C₁₈H₁₃BrN₂OS and a molecular weight of 385.29 g/mol. Its IUPAC name is [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol.

Molecular Properties

• Compound Name: [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol
• PubChem CID: 155518507
• Molecular Formula: C₁₈H₁₃BrN₂OS
• Molecular Weight: 385.29 g/mol
• Exact Mass: 383.99
• IUPAC Name: [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol
• SMILES: OC(c1ccccc1)c1cnc2scc(-c3ccc(Br)cc3)n12
• InChI: InChI=1S/C18H13BrN2OS/c19-14-8-6-12(7-9-14)16-11-23-18-20-10-15(21(16)18)17(22)13-4-2-1-3-5-13/h1-11,17,22H
• InChIKey: OGMJVIXHCYJMBC-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 37.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.29
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol?

The IUPAC name of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol (CID 155518507) is [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol.

What is the SMILES notation for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol?

The canonical SMILES for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol is OC(c1ccccc1)c1cnc2scc(-c3ccc(Br)cc3)n12.

What is the InChIKey of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol?

The InChIKey is OGMJVIXHCYJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2OS/c19-14-8-6-12(7-9-14)16-11-23-18-20-10-15(21(16)18)17(22)13-4-2-1-3-5-13/h1-11,17,22H.

What are the key properties of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol?

[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol has a molecular weight of 385.29 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 155518507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155518507 — identifiers, structure, computed properties (public domain)

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