2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole

C50H83N19O2S2 — CID 160924232

About 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole

2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole (PubChem CID 160924232) has the molecular formula C50H83N19O2S2 and a molecular weight of 1046.48 g/mol. Its IUPAC name is 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole
• PubChem CID: 160924232
• Molecular Formula: C50H83N19O2S2
• Molecular Weight: 1046.48 g/mol
• Exact Mass: 1045.64
• IUPAC Name: 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole
• SMILES: CC1=NCC(C)N1.CC1=NCCC(C)N1.CC1CNC(C)S1.Cc1ccnc(C)n1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1ncnc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/C6H12N2.C6H8N2.C5H7N3.C5H10N2.C5H8N2.C5H7NO.C5H11NS.C5H7NS.C4H7N3.C4H6N2O/c2*1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4;5*1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3/h5H,3-4H2,1-2H3,(H,7,8);3-4H,1-2H3;3H,1-2H3;4H,3H2,1-2H3,(H,6,7);3H,1-2H3,(H,6,7);3H,1-2H3;4-6H,3H2,1-2H3;3H,1-2H3;1-2H3,(H,5,6,7);1-2H3
• InChIKey: SSKYNZFRHGNSEB-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 273.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1046.48
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole?

The IUPAC name of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole (CID 160924232) is 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole.

What is the SMILES notation for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole?

The canonical SMILES for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole is CC1=NCC(C)N1.CC1=NCCC(C)N1.CC1CNC(C)S1.Cc1ccnc(C)n1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1ncnc(C)n1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole?

The InChIKey is SSKYNZFRHGNSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C6H8N2.C5H7N3.C5H10N2.C5H8N2.C5H7NO.C5H11NS.C5H7NS.C4H7N3.C4H6N2O/c2*1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4;5*1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3/h5H,3-4H2,1-2H3,(H,7,8);3-4H,1-2H3;3H,1-2H3;4H,3H2,1-2H3,(H,6,7);3H,1-2H3,(H,6,7);3H,1-2H3;4-6H,3H2,1-2H3;3H,1-2H3;1-2H3,(H,5,6,7);1-2H3.

What are the key properties of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole?

2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole has a molecular weight of 1046.48 g/mol, XLogP of 9.01, 0 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,6-dimethyl-1,4,5,6-tetrahydropyrimidine;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazolidine;2,4-dimethyl-1,3,5-triazine;3,5-dimethyl-1H-1,2,4-triazole is sourced from PubChem (CID 160924232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).