1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one

C27H24N6OS — CID 23960496

About 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one

1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one (PubChem CID 23960496) has the molecular formula C27H24N6OS and a molecular weight of 480.60 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one.

Molecular Properties

• Compound Name: 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one
• PubChem CID: 23960496
• Molecular Formula: C27H24N6OS
• Molecular Weight: 480.60 g/mol
• Exact Mass: 480.17
• IUPAC Name: 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one
• SMILES: CC(=Nn1c(-c2ccccc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccn1
• InChI: InChI=1S/C27H24N6OS/c1-19(23-16-10-11-17-28-23)30-32-24(21-12-6-4-7-13-21)18-35-27(32)29-25-20(2)31(3)33(26(25)34)22-14-8-5-9-15-22/h4-18H,1-3H3/b29-27-,30-19?
• InChIKey: VNMLYWOGKZQJNI-YFXWLAOZSA-N
• XLogP: 4.91
• TPSA: 69.47 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.60
LogP ≤ 5	4.91
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 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one?

The IUPAC name of 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one (CID 23960496) is 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one.

What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one?

The canonical SMILES for 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one is CC(=Nn1c(-c2ccccc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccn1.

What is the InChIKey of 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one?

The InChIKey is VNMLYWOGKZQJNI-YFXWLAOZSA-N. The full InChI is InChI=1S/C27H24N6OS/c1-19(23-16-10-11-17-28-23)30-32-24(21-12-6-4-7-13-21)18-35-27(32)29-25-20(2)31(3)33(26(25)34)22-14-8-5-9-15-22/h4-18H,1-3H3/b29-27-,30-19?.

What are the key properties of 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one?

1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one has a molecular weight of 480.60 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-2-phenyl-4-[[4-phenyl-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]pyrazol-3-one is sourced from PubChem (CID 23960496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).