N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C24H24N4O4S — CID 168619088

About N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168619088) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
• PubChem CID: 168619088
• Molecular Formula: C24H24N4O4S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.15
• IUPAC Name: N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
• SMILES: COc1ccc(OC)c(-c2nc(COc3ccccc3C=NNc3nc(C)cs3)c(C)o2)c1
• InChI: InChI=1S/C24H24N4O4S/c1-15-14-33-24(26-15)28-25-12-17-7-5-6-8-21(17)31-13-20-16(2)32-23(27-20)19-11-18(29-3)9-10-22(19)30-4/h5-12,14H,13H2,1-4H3,(H,26,28)
• InChIKey: LLTYQIDTZMXBPO-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 91.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168619088) is N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is COc1ccc(OC)c(-c2nc(COc3ccccc3C=NNc3nc(C)cs3)c(C)o2)c1.

What is the InChIKey of N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?

The InChIKey is LLTYQIDTZMXBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-15-14-33-24(26-15)28-25-12-17-7-5-6-8-21(17)31-13-20-16(2)32-23(27-20)19-11-18(29-3)9-10-22(19)30-4/h5-12,14H,13H2,1-4H3,(H,26,28).

What are the key properties of N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?

N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 464.55 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168619088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).