bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole

C42H60N10O2S2 — CID 159418586

About bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole

bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159418586) has the molecular formula C42H60N10O2S2 and a molecular weight of 801.14 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 159418586
• Molecular Formula: C42H60N10O2S2
• Molecular Weight: 801.14 g/mol
• Exact Mass: 800.43
• IUPAC Name: bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole
• SMILES: Cc1cc(C)ncn1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)cn1.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1nnc(C)s1
• InChI: InChI=1S/C10H15N.2C6H8N2.C6H9NS.2C5H7NO.C4H6N2S/c1-6-7(2)9(4)11-10(5)8(6)3;1-5-3-8-6(2)4-7-5;1-5-3-6(2)8-4-7-5;1-4-5(2)8-6(3)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h1-5H3;2*3-4H,1-2H3;1-3H3;2*3H,1-2H3;1-2H3
• InChIKey: LPMCKAMDMQLJSZ-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 155.18 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	801.14
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?

The IUPAC name of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole (CID 159418586) is bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole.

What is the SMILES notation for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?

The canonical SMILES for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole is Cc1cc(C)ncn1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cnc(C)cn1.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1nnc(C)s1.

What is the InChIKey of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?

The InChIKey is LPMCKAMDMQLJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.2C6H8N2.C6H9NS.2C5H7NO.C4H6N2S/c1-6-7(2)9(4)11-10(5)8(6)3;1-5-3-8-6(2)4-7-5;1-5-3-6(2)8-4-7-5;1-4-5(2)8-6(3)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h1-5H3;2*3-4H,1-2H3;1-3H3;2*3H,1-2H3;1-2H3.

What are the key properties of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?

bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 801.14 g/mol, XLogP of 10.62, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159418586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).