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

C54H102N12O3S3 — CID 157150080

IUPACethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;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.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnoc1.Cc1cnsc1.Cn1cccn1
InChIInChI=1S/3C4H6N2.3C4H5NO.3C4H5NS.9C2H6/c1-4-2-5-6-3-4;1-6-4-2-3-5-6;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;9*1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;9*1-2H3
InChIKeyALDRNQGSOMDRLL-UHFFFAOYSA-N
MW1063.69 g/mol
LogP18.40
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;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;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 157150080) has the molecular formula C54H102N12O3S3 and a molecular weight of 1063.69 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;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;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
PubChem CID157150080
Molecular FormulaC54H102N12O3S3
Molecular Weight1063.69 g/mol
Exact Mass1062.74
IUPAC Nameethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;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.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnoc1.Cc1cnsc1.Cn1cccn1
InChIInChI=1S/3C4H6N2.3C4H5NO.3C4H5NS.9C2H6/c1-4-2-5-6-3-4;1-6-4-2-3-5-6;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;9*1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;9*1-2H3
InChIKeyALDRNQGSOMDRLL-UHFFFAOYSA-N
XLogP18.40
TPSA191.94 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.69
LogP ≤ 518.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;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;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;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 157150080) is ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;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;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;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.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;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The InChIKey is ALDRNQGSOMDRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6N2.3C4H5NO.3C4H5NS.9C2H6/c1-4-2-5-6-3-4;1-6-4-2-3-5-6;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;9*1-2/h2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;9*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;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;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 1063.69 g/mol, XLogP of 18.40, 0 rotatable bonds, 2 hydrogen bond donors, and 16 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;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 157150080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).