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)

C73H128N24O2S3 — CID 159158775

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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nsc(C)n1.Cn1ccnn1.Cn1nccn1
InChIInChI=1S/3C6H7N.2C5H7NO.2C5H7NS.C4H6N2S.5C3H5N3.8C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;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;8*1-2/h3*2-5H,1H3;4*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);8*1-2H3
InChIKeyKKFQFDMHYJZNHJ-UHFFFAOYSA-N
MW1470.19 g/mol
LogP19.61
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;4-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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) (PubChem CID 159158775) has the molecular formula C73H128N24O2S3 and a molecular weight of 1470.19 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;4-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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
PubChem CID159158775
Molecular FormulaC73H128N24O2S3
Molecular Weight1470.19 g/mol
Exact Mass1468.98
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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nsc(C)n1.Cn1ccnn1.Cn1nccn1
InChIInChI=1S/3C6H7N.2C5H7NO.2C5H7NS.C4H6N2S.5C3H5N3.8C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;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;8*1-2/h3*2-5H,1H3;4*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);8*1-2H3
InChIKeyKKFQFDMHYJZNHJ-UHFFFAOYSA-N
XLogP19.61
TPSA328.42 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001470.19
LogP ≤ 519.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) with MolForge

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Related Compounds

1,1-Dideuterioethylbenzene;2-(1,1-dideuterioethyl)-4,6-diphenylpyrimidine;4-(1,1-dideuterioethyl)-2,6-diphenylpyrimidine;2-(1,1-dideuterioethyl)pyrazine;2-(1,1-dideuterioethyl)pyridine;3-(1,1-dideuterioethyl)pyridine;4-(1,1-dideuterioethyl)pyridine;2-(1,1-dideuterioethyl)pyrimidine;4-(1,1-dideuterioethyl)pyrimidine;2-(1,1-dideuterioethyl)-1,3,4-thiadiazole;5-(1,1-dideuterioethyl)-1,2,4-thiadiazole;2-(1,1-dideuterioethyl)-1,3,5-triazine;4-(1,1-dideuterioethyl)-2,5,6-triphenylpyrimidine;4-ethyl-1,3-oxazole;3-ethyl-1,2,4-thiadiazole;4-ethyl-1,3-thiazole
CID 157175113
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
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
Ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157552958
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
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158104076
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

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;4-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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) (CID 159158775) 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;4-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;4-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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?
The InChIKey is KKFQFDMHYJZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.2C5H7NO.2C5H7NS.C4H6N2S.5C3H5N3.8C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;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;8*1-2/h3*2-5H,1H3;4*3H,1-2H3;1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);8*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;4-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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) has a molecular weight of 1470.19 g/mol, XLogP of 19.61, 0 rotatable bonds, 3 hydrogen bond donors, and 26 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;4-methylpyridine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) is sourced from PubChem (CID 159158775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).