N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine

C30H28N6S2 — CID 139236117

About N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine

N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine (PubChem CID 139236117) has the molecular formula C30H28N6S2 and a molecular weight of 536.73 g/mol. Its IUPAC name is N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
• PubChem CID: 139236117
• Molecular Formula: C30H28N6S2
• Molecular Weight: 536.73 g/mol
• Exact Mass: 536.18
• IUPAC Name: N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
• SMILES: C/C(=N\Nc1nc(-c2ccc(-c3csc(N/N=C(\C)c4ccc(C)cc4)n3)cc2)cs1)c1ccc(C)cc1
• InChI: InChI=1S/C30H28N6S2/c1-19-5-9-23(10-6-19)21(3)33-35-29-31-27(17-37-29)25-13-15-26(16-14-25)28-18-38-30(32-28)36-34-22(4)24-11-7-20(2)8-12-24/h5-18H,1-4H3,(H,31,35)(H,32,36)/b33-21+,34-22+
• InChIKey: PNRYGBVWSMNLLX-WXGDAXOSSA-N
• XLogP: 8.22
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.73
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?

The IUPAC name of N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine (CID 139236117) is N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccc(-c3csc(N/N=C(\C)c4ccc(C)cc4)n3)cc2)cs1)c1ccc(C)cc1.

What is the InChIKey of N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?

The InChIKey is PNRYGBVWSMNLLX-WXGDAXOSSA-N. The full InChI is InChI=1S/C30H28N6S2/c1-19-5-9-23(10-6-19)21(3)33-35-29-31-27(17-37-29)25-13-15-26(16-14-25)28-18-38-30(32-28)36-34-22(4)24-11-7-20(2)8-12-24/h5-18H,1-4H3,(H,31,35)(H,32,36)/b33-21+,34-22+.

What are the key properties of N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?

N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 536.73 g/mol, XLogP of 8.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139236117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).