2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole

C125H160N36O3S7 — CID 158030827

About 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole

2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole (PubChem CID 158030827) has the molecular formula C125H160N36O3S7 and a molecular weight of 2439.37 g/mol. Its IUPAC name is 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole
• PubChem CID: 158030827
• Molecular Formula: C125H160N36O3S7
• Molecular Weight: 2439.37 g/mol
• Exact Mass: 2437.15
• IUPAC Name: 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole
• SMILES: CC1=NCN(C)C=C1.COC(=O)c1ccc(C)nc1.Cc1cc(C)n(C)n1.Cc1ccc(C=O)cn1.Cc1ccccn1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1cn(C)cn1.Cc1cn2ccccc2n1.Cc1cn2ccsc2n1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1cnc[nH]1.Cc1cnccn1.Cc1csc(C)n1.Cc1csc(Cc2ccccc2)n1.Cc1cscn1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1ncccc1N.Cc1nccs1.Cc1ncn[nH]1
• InChI: InChI=1S/C11H11NS.C8H8N2.C8H9NO2.C8H7NS.C7H7NO.C6H6N2S.2C6H10N2.C6H8N2.C6H7N.3C5H8N2.C5H6N2.2C5H7NS.3C4H6N2.2C4H5NS.C3H5N3/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10;1-7-6-10-5-3-2-4-8(10)9-7;1-6-3-4-7(5-9-6)8(10)11-2;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-3-7(5-9)4-8-6;1-5-4-8-2-3-9-6(8)7-5;1-5-4-6(2)8(3)7-5;1-6-3-4-8(2)5-7-6;1-5-6(7)3-2-4-8-5;1-6-4-2-3-5-7-6;1-5-3-7(2)4-6-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-5-4-6-2-3-7-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3/h2-6,8H,7H2,1H3;2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-5H,1H3;2-4H,1H3;4H,1-3H3;3-4H,5H2,1-2H3;2-4H,7H2,1H3;2-5H,1H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);2-4H,1H3;2*3H,1-2H3;3*2-3H,1H3,(H,5,6);2*2-3H,1H3;2H,1H3,(H,4,5,6)
• InChIKey: FHDUUZXBBJDVEV-UHFFFAOYSA-N
• XLogP: 27.60
• TPSA: 484.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 4
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2439.37
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole?

The IUPAC name of 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole (CID 158030827) is 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole.

What is the SMILES notation for 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole?

The canonical SMILES for 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole is CC1=NCN(C)C=C1.COC(=O)c1ccc(C)nc1.Cc1cc(C)n(C)n1.Cc1ccc(C=O)cn1.Cc1ccccn1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1cn(C)cn1.Cc1cn2ccccc2n1.Cc1cn2ccsc2n1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1cnc[nH]1.Cc1cnccn1.Cc1csc(C)n1.Cc1csc(Cc2ccccc2)n1.Cc1cscn1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1ncccc1N.Cc1nccs1.Cc1ncn[nH]1.

What is the InChIKey of 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole?

The InChIKey is FHDUUZXBBJDVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C8H8N2.C8H9NO2.C8H7NS.C7H7NO.C6H6N2S.2C6H10N2.C6H8N2.C6H7N.3C5H8N2.C5H6N2.2C5H7NS.3C4H6N2.2C4H5NS.C3H5N3/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10;1-7-6-10-5-3-2-4-8(10)9-7;1-6-3-4-7(5-9-6)8(10)11-2;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-3-7(5-9)4-8-6;1-5-4-8-2-3-9-6(8)7-5;1-5-4-6(2)8(3)7-5;1-6-3-4-8(2)5-7-6;1-5-6(7)3-2-4-8-5;1-6-4-2-3-5-7-6;1-5-3-7(2)4-6-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-5-4-6-2-3-7-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3/h2-6,8H,7H2,1H3;2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-5H,1H3;2-4H,1H3;4H,1-3H3;3-4H,5H2,1-2H3;2-4H,7H2,1H3;2-5H,1H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);2-4H,1H3;2*3H,1-2H3;3*2-3H,1H3,(H,5,6);2*2-3H,1H3;2H,1H3,(H,4,5,6).

What are the key properties of 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole?

2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole has a molecular weight of 2439.37 g/mol, XLogP of 27.60, 4 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole is sourced from PubChem (CID 158030827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).