bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)

C65H115N23O2S3 — CID 158197511

IUPACbis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nsc(C)n1.Cn1ccnn1.Cn1nccn1
InChIInChI=1S/2C6H7N.2C5H7NO.2C5H7NS.C4H6N2S.5C3H5N3.7C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;4*1-4-5(2)7-3-6-4;1-3-5-4(2)7-6-3;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;7*1-2/h2*2-5H,1H3;4*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);7*1-2H3
InChIKeyGANBXQMKAPKFFS-UHFFFAOYSA-N
MW1346.99 g/mol
LogP17.19
Rot. Bonds

About bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)

bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) (PubChem CID 158197511) has the molecular formula C65H115N23O2S3 and a molecular weight of 1346.99 g/mol. Its IUPAC name is bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole).

Molecular Properties

Compound Namebis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
PubChem CID158197511
Molecular FormulaC65H115N23O2S3
Molecular Weight1346.99 g/mol
Exact Mass1345.88
IUPAC Namebis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nsc(C)n1.Cn1ccnn1.Cn1nccn1
InChIInChI=1S/2C6H7N.2C5H7NO.2C5H7NS.C4H6N2S.5C3H5N3.7C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;4*1-4-5(2)7-3-6-4;1-3-5-4(2)7-6-3;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;7*1-2/h2*2-5H,1H3;4*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);7*1-2H3
InChIKeyGANBXQMKAPKFFS-UHFFFAOYSA-N
XLogP17.19
TPSA315.53 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.99
LogP ≤ 517.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) 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

Ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 157226919
bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157401578
bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;5-methyl-1H-imidazole;2-methylpyridine;1-methyltriazole;2-methyltriazole;bis(4-methyl-2H-triazole)
CID 157597553
3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157759594
3-Methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 158098623
5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine
CID 158228519
ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)
CID 158232674
4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 158576121
Ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole
CID 158746381
bis(4,5-dimethyl-1,3-oxazole);bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltetrazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 158774346
bis(4,5-dimethyloxadiazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 159013257
4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane
CID 159032432

Frequently Asked Questions

What is the IUPAC name of bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?
The IUPAC name of bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) (CID 158197511) is bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole).
What is the SMILES notation for bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?
The canonical SMILES for bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) is CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nsc(C)n1.Cn1ccnn1.Cn1nccn1.
What is the InChIKey of bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?
The InChIKey is GANBXQMKAPKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.2C5H7NO.2C5H7NS.C4H6N2S.5C3H5N3.7C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;4*1-4-5(2)7-3-6-4;1-3-5-4(2)7-6-3;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;7*1-2/h2*2-5H,1H3;4*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);7*1-2H3.
What are the key properties of bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?
bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) has a molecular weight of 1346.99 g/mol, XLogP of 17.19, 0 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2,4-thiadiazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;3-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) is sourced from PubChem (CID 158197511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).