2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole

C53H62N14OS2 — CID 158800887

About 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole

2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole (PubChem CID 158800887) has the molecular formula C53H62N14OS2 and a molecular weight of 975.31 g/mol. Its IUPAC name is 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole
• PubChem CID: 158800887
• Molecular Formula: C53H62N14OS2
• Molecular Weight: 975.31 g/mol
• Exact Mass: 974.47
• IUPAC Name: 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole
• SMILES: Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccncn1.Cc1ccon1.Cc1nc2ccccc2s1.Cc1ncccn1.Cc1nccs1
• InChI: InChI=1S/C8H7NS.3C6H7N.3C5H6N2.C4H6N2.C4H5NO.C4H5NS/c1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-4-2-3-5-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4/h2-5H,1H3;3*2-5H,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3
• InChIKey: ITLVNBZDEPFLJQ-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 196.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	975.31
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole (CID 158800887) is 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole.

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

The canonical SMILES for 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole is Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccncn1.Cc1ccon1.Cc1nc2ccccc2s1.Cc1ncccn1.Cc1nccs1.

What is the InChIKey of 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole?

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

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

2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole has a molecular weight of 975.31 g/mol, XLogP of 12.28, 0 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1,3-benzothiazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole is sourced from PubChem (CID 158800887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).