2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

C23H19N3OS — CID 90656358

About 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 90656358) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

• Compound Name: 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
• PubChem CID: 90656358
• Molecular Formula: C23H19N3OS
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.12
• IUPAC Name: 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
• SMILES: Cc1ccc(C2=NN(C3=NC(=O)CS3)C(c3ccc4ccccc4c3)C2)cc1
• InChI: InChI=1S/C23H19N3OS/c1-15-6-8-17(9-7-15)20-13-21(26(25-20)23-24-22(27)14-28-23)19-11-10-16-4-2-3-5-18(16)12-19/h2-12,21H,13-14H2,1H3
• InChIKey: LJRCLIXPPJBOKX-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 45.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?

The IUPAC name of 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 90656358) is 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

What is the SMILES notation for 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?

The canonical SMILES for 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is Cc1ccc(C2=NN(C3=NC(=O)CS3)C(c3ccc4ccccc4c3)C2)cc1.

What is the InChIKey of 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?

The InChIKey is LJRCLIXPPJBOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-15-6-8-17(9-7-15)20-13-21(26(25-20)23-24-22(27)14-28-23)19-11-10-16-4-2-3-5-18(16)12-19/h2-12,21H,13-14H2,1H3.

What are the key properties of 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?

2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 385.49 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 90656358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).