bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)

C52H65N17OS2 — CID 162162241

IUPACbis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)
SMILESCC1=NCC=N1.CC1=NCC=N1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nccs1
InChIInChI=1S/2C6H7N.4C5H6N2.2C4H6N2.C4H5NO.2C4H5NS/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;5*1-4-5-2-3-6-4/h2*2-5H,1H3;4*2-4H,1H3;2*2H,3H2,1H3;3*2-3H,1H3
InChIKeyZMQIWDGUCKNWOL-UHFFFAOYSA-N
MW1008.34 g/mol
LogP10.78
Rot. Bonds

About bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)

bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole) (PubChem CID 162162241) has the molecular formula C52H65N17OS2 and a molecular weight of 1008.34 g/mol. Its IUPAC name is bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole).

Molecular Properties

Compound Namebis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)
PubChem CID162162241
Molecular FormulaC52H65N17OS2
Molecular Weight1008.34 g/mol
Exact Mass1007.50
IUPAC Namebis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)
SMILESCC1=NCC=N1.CC1=NCC=N1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nccs1
InChIInChI=1S/2C6H7N.4C5H6N2.2C4H6N2.C4H5NO.2C4H5NS/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;5*1-4-5-2-3-6-4/h2*2-5H,1H3;4*2-4H,1H3;2*2H,3H2,1H3;3*2-3H,1H3
InChIKeyZMQIWDGUCKNWOL-UHFFFAOYSA-N
XLogP10.78
TPSA230.15 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms72
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.34
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)?
The IUPAC name of bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole) (CID 162162241) is bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole).
What is the SMILES notation for bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)?
The canonical SMILES for bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole) is CC1=NCC=N1.CC1=NCC=N1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nccs1.
What is the InChIKey of bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)?
The InChIKey is ZMQIWDGUCKNWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.4C5H6N2.2C4H6N2.C4H5NO.2C4H5NS/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;5*1-4-5-2-3-6-4/h2*2-5H,1H3;4*2-4H,1H3;2*2H,3H2,1H3;3*2-3H,1H3.
What are the key properties of bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)?
bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole) has a molecular weight of 1008.34 g/mol, XLogP of 10.78, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole) is sourced from PubChem (CID 162162241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).