5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole

C37H25N5OS3 — CID 102458611

About 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole

5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole (PubChem CID 102458611) has the molecular formula C37H25N5OS3 and a molecular weight of 651.84 g/mol. Its IUPAC name is 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole.

Molecular Properties

• Compound Name: 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole
• PubChem CID: 102458611
• Molecular Formula: C37H25N5OS3
• Molecular Weight: 651.84 g/mol
• Exact Mass: 651.12
• IUPAC Name: 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole
• SMILES: Cc1oc(-c2ccccc2)nc1-c1sc(-c2ccccc2)nc1-c1nc(-c2ccccc2)sc1-c1nc(-c2ccccn2)sc1C
• InChI: InChI=1S/C37H25N5OS3/c1-22-28(39-34(43-22)24-14-6-3-7-15-24)32-30(41-35(45-32)25-16-8-4-9-17-25)31-33(46-36(42-31)26-18-10-5-11-19-26)29-23(2)44-37(40-29)27-20-12-13-21-38-27/h3-21H,1-2H3
• InChIKey: QSFRROZCGJLUFS-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 77.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.84
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole?

The IUPAC name of 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole (CID 102458611) is 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole.

What is the SMILES notation for 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole?

The canonical SMILES for 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1-c1sc(-c2ccccc2)nc1-c1nc(-c2ccccc2)sc1-c1nc(-c2ccccn2)sc1C.

What is the InChIKey of 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole?

The InChIKey is QSFRROZCGJLUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5OS3/c1-22-28(39-34(43-22)24-14-6-3-7-15-24)32-30(41-35(45-32)25-16-8-4-9-17-25)31-33(46-36(42-31)26-18-10-5-11-19-26)29-23(2)44-37(40-29)27-20-12-13-21-38-27/h3-21H,1-2H3.

What are the key properties of 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole?

5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole has a molecular weight of 651.84 g/mol, XLogP of 10.72, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 102458611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).