(Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

C30H28N4O3S — CID 6216176

About (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

(Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 6216176) has the molecular formula C30H28N4O3S and a molecular weight of 524.65 g/mol. Its IUPAC name is (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
• PubChem CID: 6216176
• Molecular Formula: C30H28N4O3S
• Molecular Weight: 524.65 g/mol
• Exact Mass: 524.19
• IUPAC Name: (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
• SMILES: COc1cc(-c2cs/c(=N\c3ccc(C)cc3C)n2/N=C\c2ccc3ncccc3c2)cc(OC)c1OC
• InChI: InChI=1S/C30H28N4O3S/c1-19-8-10-24(20(2)13-19)33-30-34(32-17-21-9-11-25-22(14-21)7-6-12-31-25)26(18-38-30)23-15-27(35-3)29(37-5)28(16-23)36-4/h6-18H,1-5H3/b32-17-,33-30-
• InChIKey: SNRXNXKZCLIAEZ-UBRZDGGXSA-N
• XLogP: 6.52
• TPSA: 70.23 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.65
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?

The IUPAC name of (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (CID 6216176) is (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.

What is the SMILES notation for (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?

The canonical SMILES for (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is COc1cc(-c2cs/c(=N\c3ccc(C)cc3C)n2/N=C\c2ccc3ncccc3c2)cc(OC)c1OC.

What is the InChIKey of (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?

The InChIKey is SNRXNXKZCLIAEZ-UBRZDGGXSA-N. The full InChI is InChI=1S/C30H28N4O3S/c1-19-8-10-24(20(2)13-19)33-30-34(32-17-21-9-11-25-22(14-21)7-6-12-31-25)26(18-38-30)23-15-27(35-3)29(37-5)28(16-23)36-4/h6-18H,1-5H3/b32-17-,33-30-.

What are the key properties of (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?

(Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 524.65 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 6216176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).