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)

C61H108N24O2S4 — CID 160536053

IUPACbis(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)
SMILESCC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1ccnn1.Cn1nccn1
InChIInChI=1S/C6H7N.2C5H7NO.2C5H7NS.2C4H6N2S.5C3H5N3.6C2H6/c1-6-4-2-3-5-7-6;4*1-4-5(2)7-3-6-4;2*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;6*1-2/h2-5H,1H3;4*3H,1-2H3;2*1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);6*1-2H3
InChIKeyQWEBBYIWDPBXAM-UHFFFAOYSA-N
MW1337.97 g/mol
LogP15.93
Rot. Bonds

About 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)

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) (PubChem CID 160536053) has the molecular formula C61H108N24O2S4 and a molecular weight of 1337.97 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(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)
PubChem CID160536053
Molecular FormulaC61H108N24O2S4
Molecular Weight1337.97 g/mol
Exact Mass1336.80
IUPAC Namebis(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)
SMILESCC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1ccnn1.Cn1nccn1
InChIInChI=1S/C6H7N.2C5H7NO.2C5H7NS.2C4H6N2S.5C3H5N3.6C2H6/c1-6-4-2-3-5-7-6;4*1-4-5(2)7-3-6-4;2*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;6*1-2/h2-5H,1H3;4*3H,1-2H3;2*1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);6*1-2H3
InChIKeyQWEBBYIWDPBXAM-UHFFFAOYSA-N
XLogP15.93
TPSA328.42 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001337.97
LogP ≤ 515.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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 160536053) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nsc(C)n1.Cc1nsc(C)n1.Cn1ccnn1.Cn1nccn1.
What is the InChIKey of 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)?
The InChIKey is QWEBBYIWDPBXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C5H7NO.2C5H7NS.2C4H6N2S.5C3H5N3.6C2H6/c1-6-4-2-3-5-7-6;4*1-4-5(2)7-3-6-4;2*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;6*1-2/h2-5H,1H3;4*3H,1-2H3;2*1-2H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);6*1-2H3.
What are the key properties of 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)?
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) has a molecular weight of 1337.97 g/mol, XLogP of 15.93, 0 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 160536053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).