1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole

C66H87N45O7S5 — CID 158113533

About 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole

1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole (PubChem CID 158113533) has the molecular formula C66H87N45O7S5 and a molecular weight of 1783.06 g/mol. Its IUPAC name is 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole.

Molecular Properties

• Compound Name: 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole
• PubChem CID: 158113533
• Molecular Formula: C66H87N45O7S5
• Molecular Weight: 1783.06 g/mol
• Exact Mass: 1781.64
• IUPAC Name: 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole
• SMILES: C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.C1=NCN=C1.CN1C=CN(C)C1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nccn1.c1cnoc1.c1cnoc1.c1cnon1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
• InChI: InChI=1S/C5H10N2.2C4H6N2.2C4H5N.3C3H5N3.2C3H4N2.3C3H3NO.C3H3NS.C2H4N4.4C2H2N2O.4C2H2N2S/c1-6-3-4-7(2)5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-6-2-3-4-5-6;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h3-4H,5H2,1-2H3;2*2-4H,1H3;1,3-4H,2H2;1-3H,4H2;3*2-3H,1H3;1,3H,2H2;1-2H,3H2;4*1-3H;2H,1H3;8*1-2H
• InChIKey: FQSNROHRRRTXLF-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 601.79 Ų
• H-Bond Acceptors: 57
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.06
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole?

The IUPAC name of 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole (CID 158113533) is 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole.

What is the SMILES notation for 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole?

The canonical SMILES for 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole is C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.C1=NCN=C1.CN1C=CN(C)C1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nccn1.c1cnoc1.c1cnoc1.c1cnon1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.

What is the InChIKey of 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole?

The InChIKey is FQSNROHRRRTXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.2C4H6N2.2C4H5N.3C3H5N3.2C3H4N2.3C3H3NO.C3H3NS.C2H4N4.4C2H2N2O.4C2H2N2S/c1-6-3-4-7(2)5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-6-2-3-4-5-6;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h3-4H,5H2,1-2H3;2*2-4H,1H3;1,3-4H,2H2;1-3H,4H2;3*2-3H,1H3;1,3H,2H2;1-2H,3H2;4*1-3H;2H,1H3;8*1-2H.

What are the key properties of 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole?

1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole has a molecular weight of 1783.06 g/mol, XLogP of 7.19, 0 rotatable bonds, 0 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2H-imidazole;2H-imidazole;4H-imidazole;1-methylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole is sourced from PubChem (CID 158113533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).