4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide

C18H16BrIN4S — CID 122509674

About 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide

4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 122509674) has the molecular formula C18H16BrIN4S and a molecular weight of 527.23 g/mol. Its IUPAC name is 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

• Compound Name: 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide
• PubChem CID: 122509674
• Molecular Formula: C18H16BrIN4S
• Molecular Weight: 527.23 g/mol
• Exact Mass: 525.93
• IUPAC Name: 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide
• SMILES: Br.Cc1ccn2c(-c3csc(Nc4ccc(I)cc4)n3)c(C)nc2c1
• InChI: InChI=1S/C18H15IN4S.BrH/c1-11-7-8-23-16(9-11)20-12(2)17(23)15-10-24-18(22-15)21-14-5-3-13(19)4-6-14;/h3-10H,1-2H3,(H,21,22);1H
• InChIKey: JGUGUOHCMZJIRO-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 42.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.23
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide?

The IUPAC name of 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide (CID 122509674) is 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide.

What is the SMILES notation for 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide?

The canonical SMILES for 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccn2c(-c3csc(Nc4ccc(I)cc4)n3)c(C)nc2c1.

What is the InChIKey of 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide?

The InChIKey is JGUGUOHCMZJIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN4S.BrH/c1-11-7-8-23-16(9-11)20-12(2)17(23)15-10-24-18(22-15)21-14-5-3-13(19)4-6-14;/h3-10H,1-2H3,(H,21,22);1H.

What are the key properties of 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide?

4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 527.23 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 122509674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).