4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide

C19H20BrN5S — CID 122509686

About 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide

4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide (PubChem CID 122509686) has the molecular formula C19H20BrN5S and a molecular weight of 430.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide.

Molecular Properties

• Compound Name: 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide
• PubChem CID: 122509686
• Molecular Formula: C19H20BrN5S
• Molecular Weight: 430.38 g/mol
• Exact Mass: 429.06
• IUPAC Name: 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide
• SMILES: Br.Cc1nc2ccccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1
• InChI: InChI=1S/C19H19N5S.BrH/c1-13-18(24-11-5-4-6-17(24)20-13)16-12-25-19(22-16)21-14-7-9-15(10-8-14)23(2)3;/h4-12H,1-3H3,(H,21,22);1H
• InChIKey: SEUABQNAGAOZEY-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 45.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.38
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide?

The IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide (CID 122509686) is 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide.

What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide?

The canonical SMILES for 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide is Br.Cc1nc2ccccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1.

What is the InChIKey of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide?

The InChIKey is SEUABQNAGAOZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S.BrH/c1-13-18(24-11-5-4-6-17(24)20-13)16-12-25-19(22-16)21-14-7-9-15(10-8-14)23(2)3;/h4-12H,1-3H3,(H,21,22);1H.

What are the key properties of 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide?

4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide has a molecular weight of 430.38 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide is sourced from PubChem (CID 122509686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).