ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

C60H114N14O3S3 — CID 161008290

IUPACethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnoc1.Cc1cnsc1.Cn1cccn1
InChIInChI=1S/4C4H6N2.3C4H5NO.3C4H5NS.10C2H6/c1-4-2-5-6-3-4;1-6-4-2-3-5-6;2*1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;10*1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;10*1-2H3
InChIKeyTWUHUPSVTGPVIP-UHFFFAOYSA-N
MW1175.87 g/mol
LogP20.14
Rot. Bonds

About ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 161008290) has the molecular formula C60H114N14O3S3 and a molecular weight of 1175.87 g/mol. Its IUPAC name is ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

Molecular Properties

Compound Nameethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
PubChem CID161008290
Molecular FormulaC60H114N14O3S3
Molecular Weight1175.87 g/mol
Exact Mass1174.84
IUPAC Nameethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnoc1.Cc1cnsc1.Cn1cccn1
InChIInChI=1S/4C4H6N2.3C4H5NO.3C4H5NS.10C2H6/c1-4-2-5-6-3-4;1-6-4-2-3-5-6;2*1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;10*1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;10*1-2H3
InChIKeyTWUHUPSVTGPVIP-UHFFFAOYSA-N
XLogP20.14
TPSA220.62 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001175.87
LogP ≤ 520.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The IUPAC name of ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 161008290) is ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.
What is the SMILES notation for ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The canonical SMILES for ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnoc1.Cc1cnsc1.Cn1cccn1.
What is the InChIKey of ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The InChIKey is TWUHUPSVTGPVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H6N2.3C4H5NO.3C4H5NS.10C2H6/c1-4-2-5-6-3-4;1-6-4-2-3-5-6;2*1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;10*1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;10*1-2H3.
What are the key properties of ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 1175.87 g/mol, XLogP of 20.14, 0 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 161008290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).