N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine

C19H10Cl4N4OS — CID 2745532

About N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine

N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 2745532) has the molecular formula C19H10Cl4N4OS and a molecular weight of 484.20 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
• PubChem CID: 2745532
• Molecular Formula: C19H10Cl4N4OS
• Molecular Weight: 484.20 g/mol
• Exact Mass: 481.93
• IUPAC Name: N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
• SMILES: Clc1ccc(-c2cc(-c3csc(NN=Cc4c(Cl)cccc4Cl)n3)on2)c(Cl)c1
• InChI: InChI=1S/C19H10Cl4N4OS/c20-10-4-5-11(15(23)6-10)16-7-18(28-27-16)17-9-29-19(25-17)26-24-8-12-13(21)2-1-3-14(12)22/h1-9H,(H,25,26)
• InChIKey: QHDVXZFUFSPHQY-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 63.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.20
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?

The IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine (CID 2745532) is N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?

The canonical SMILES for N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is Clc1ccc(-c2cc(-c3csc(NN=Cc4c(Cl)cccc4Cl)n3)on2)c(Cl)c1.

What is the InChIKey of N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?

The InChIKey is QHDVXZFUFSPHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl4N4OS/c20-10-4-5-11(15(23)6-10)16-7-18(28-27-16)17-9-29-19(25-17)26-24-8-12-13(21)2-1-3-14(12)22/h1-9H,(H,25,26).

What are the key properties of N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?

N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 484.20 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2745532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).