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)

C60H108N22O2S2 — CID 158774346

IUPACbis(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)
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cn1cnnn1.Cn1nccn1
InChIInChI=1S/2C6H7N.2C5H7NO.2C5H7NS.4C3H5N3.C2H4N4.7C2H6/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;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;1-6-2-3-4-5-6;7*1-2/h2*2-5H,1H3;4*3H,1-2H3;2-3H,1H3;3*2H,1H3,(H,4,5,6);2H,1H3;7*1-2H3
InChIKeyIQHAPDYQCYSDJA-UHFFFAOYSA-N
MW1233.81 g/mol
LogP15.43
Rot. Bonds

About 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)

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) (PubChem CID 158774346) has the molecular formula C60H108N22O2S2 and a molecular weight of 1233.81 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(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)
PubChem CID158774346
Molecular FormulaC60H108N22O2S2
Molecular Weight1233.81 g/mol
Exact Mass1232.85
IUPAC Namebis(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)
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cn1cnnn1.Cn1nccn1
InChIInChI=1S/2C6H7N.2C5H7NO.2C5H7NS.4C3H5N3.C2H4N4.7C2H6/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;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;1-6-2-3-4-5-6;7*1-2/h2*2-5H,1H3;4*3H,1-2H3;2-3H,1H3;3*2H,1H3,(H,4,5,6);2H,1H3;7*1-2H3
InChIKeyIQHAPDYQCYSDJA-UHFFFAOYSA-N
XLogP15.43
TPSA302.64 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001233.81
LogP ≤ 515.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 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) with MolForge

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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
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
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
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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 159158775
bis(4,5-dimethyl-1H-imidazole);bis(4,5-dimethyl-1,3-oxazole);tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);bis(4,5-dimethyl-1,3-thiazole)
CID 159230988
4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1,3-thiazole);ethane;2-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 159238840
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 159272575

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cn1cnnn1.Cn1nccn1.
What is the InChIKey of 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)?
The InChIKey is IQHAPDYQCYSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.2C5H7NO.2C5H7NS.4C3H5N3.C2H4N4.7C2H6/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;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;1-6-2-3-4-5-6;7*1-2/h2*2-5H,1H3;4*3H,1-2H3;2-3H,1H3;3*2H,1H3,(H,4,5,6);2H,1H3;7*1-2H3.
What are the key properties of 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)?
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) has a molecular weight of 1233.81 g/mol, XLogP of 15.43, 0 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158774346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).