N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C19H16FIN4S — CID 90446713

About N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90446713) has the molecular formula C19H16FIN4S and a molecular weight of 478.33 g/mol. Its IUPAC name is N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 90446713
• Molecular Formula: C19H16FIN4S
• Molecular Weight: 478.33 g/mol
• Exact Mass: 478.01
• IUPAC Name: N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: CCc1nc2ccc(I)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C19H16FIN4S/c1-3-15-18(25-10-14(21)8-9-17(25)22-15)24(2)19-23-16(11-26-19)12-4-6-13(20)7-5-12/h4-11H,3H2,1-2H3
• InChIKey: PCLUDFPNFZOETE-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 33.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.33
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
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 N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 90446713) is N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(I)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The InChIKey is PCLUDFPNFZOETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FIN4S/c1-3-15-18(25-10-14(21)8-9-17(25)22-15)24(2)19-23-16(11-26-19)12-4-6-13(20)7-5-12/h4-11H,3H2,1-2H3.

What are the key properties of N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 478.33 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90446713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).