5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole

C20H16N8OS4 — CID 91342022

About 5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole

5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 91342022) has the molecular formula C20H16N8OS4 and a molecular weight of 512.67 g/mol. Its IUPAC name is 5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole
• PubChem CID: 91342022
• Molecular Formula: C20H16N8OS4
• Molecular Weight: 512.67 g/mol
• Exact Mass: 512.03
• IUPAC Name: 5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole
• SMILES: Cc1cc(C2SC(c3csc(-c4cncn4C)n3)=CN2c2csc(-c3snnc3C)n2)no1
• InChI: InChI=1S/C20H16N8OS4/c1-10-4-12(25-29-10)20-28(16-8-31-19(23-16)17-11(2)24-26-33-17)6-15(32-20)13-7-30-18(22-13)14-5-21-9-27(14)3/h4-9,20H,1-3H3
• InChIKey: SREMMQJNEXASKU-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 98.65 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	512.67
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole (CID 91342022) is 5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole.

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

The canonical SMILES for 5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole is Cc1cc(C2SC(c3csc(-c4cncn4C)n3)=CN2c2csc(-c3snnc3C)n2)no1.

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

The InChIKey is SREMMQJNEXASKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8OS4/c1-10-4-12(25-29-10)20-28(16-8-31-19(23-16)17-11(2)24-26-33-17)6-15(32-20)13-7-30-18(22-13)14-5-21-9-27(14)3/h4-9,20H,1-3H3.

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

5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 512.67 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]-3-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]-2H-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 91342022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).