ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite

C21H24NO7PS — CID 143470075

About ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite

ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite (PubChem CID 143470075) has the molecular formula C21H24NO7PS and a molecular weight of 465.46 g/mol. Its IUPAC name is ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite.

Molecular Properties

• Compound Name: ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite
• PubChem CID: 143470075
• Molecular Formula: C21H24NO7PS
• Molecular Weight: 465.46 g/mol
• Exact Mass: 465.10
• IUPAC Name: ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite
• SMILES: CCOP(O)Oc1cc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
• InChI: InChI=1S/C21H24NO7PS/c1-6-28-30(23)29-17-9-13(7-8-16(17)24-2)15-12-22-31-21(15)14-10-18(25-3)20(27-5)19(11-14)26-4/h7-12,23H,6H2,1-5H3
• InChIKey: STMLHKNGGPJDPO-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 88.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.46
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite?

The IUPAC name of ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite (CID 143470075) is ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite.

What is the SMILES notation for ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite?

The canonical SMILES for ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite is CCOP(O)Oc1cc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC.

What is the InChIKey of ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite?

The InChIKey is STMLHKNGGPJDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24NO7PS/c1-6-28-30(23)29-17-9-13(7-8-16(17)24-2)15-12-22-31-21(15)14-10-18(25-3)20(27-5)19(11-14)26-4/h7-12,23H,6H2,1-5H3.

What are the key properties of ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite?

ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite has a molecular weight of 465.46 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite is sourced from PubChem (CID 143470075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).