2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole

C84H98N24O2S4 — CID 162010934

About 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole

2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole (PubChem CID 162010934) has the molecular formula C84H98N24O2S4 and a molecular weight of 1604.14 g/mol. Its IUPAC name is 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
• PubChem CID: 162010934
• Molecular Formula: C84H98N24O2S4
• Molecular Weight: 1604.14 g/mol
• Exact Mass: 1602.72
• IUPAC Name: 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
• SMILES: Cc1ccc2ccccc2n1.Cc1cccc[n+]1[O-].Cc1ccccn1.Cc1cccnc1.Cc1ccncn1.Cc1ccnnc1.Cc1ccon1.Cc1cn[nH]c1.Cc1cnccn1.Cc1cncnc1.Cc1cscn1.Cc1nc2ccccc2s1.Cc1ncccn1.Cc1nccs1.Cc1nncs1.Cn1ccnc1
• InChI: InChI=1S/C10H9N.C8H7NS.C6H7NO.2C6H7N.5C5H6N2.2C4H6N2.C4H5NO.2C4H5NS.C3H4N2S/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7(6)8;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-3-5-4-2-6-3/h2-7H,1H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;5*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;3*2-3H,1H3;2H,1H3
• InChIKey: YTLPEUYBANPWFT-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 331.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1604.14
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?

The IUPAC name of 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole (CID 162010934) is 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole.

What is the SMILES notation for 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?

The canonical SMILES for 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole is Cc1ccc2ccccc2n1.Cc1cccc[n+]1[O-].Cc1ccccn1.Cc1cccnc1.Cc1ccncn1.Cc1ccnnc1.Cc1ccon1.Cc1cn[nH]c1.Cc1cnccn1.Cc1cncnc1.Cc1cscn1.Cc1nc2ccccc2s1.Cc1ncccn1.Cc1nccs1.Cc1nncs1.Cn1ccnc1.

What is the InChIKey of 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?

The InChIKey is YTLPEUYBANPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C8H7NS.C6H7NO.2C6H7N.5C5H6N2.2C4H6N2.C4H5NO.2C4H5NS.C3H4N2S/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7(6)8;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-3-5-4-2-6-3/h2-7H,1H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;5*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;3*2-3H,1H3;2H,1H3.

What are the key properties of 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?

2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole has a molecular weight of 1604.14 g/mol, XLogP of 18.35, 0 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1,3-benzothiazole;1-methylimidazole;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylquinoline;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole is sourced from PubChem (CID 162010934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).