ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C30H56N6OS3 — CID 161199961

IUPACethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.Cc1cnco1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1ccnc1
InChIInChI=1S/C4H6N2.C4H5NO.3C4H5NS.5C2H6/c1-6-3-2-5-4-6;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;5*1-2/h2-4H,1H3;4*2-3H,1H3;5*1-2H3
InChIKeyUUVOTXKCLXAQTK-UHFFFAOYSA-N
MW613.02 g/mol
LogP10.89
Rot. Bonds

About ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 161199961) has the molecular formula C30H56N6OS3 and a molecular weight of 613.02 g/mol. Its IUPAC name is ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID161199961
Molecular FormulaC30H56N6OS3
Molecular Weight613.02 g/mol
Exact Mass612.37
IUPAC Nameethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.Cc1cnco1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1ccnc1
InChIInChI=1S/C4H6N2.C4H5NO.3C4H5NS.5C2H6/c1-6-3-2-5-4-6;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;5*1-2/h2-4H,1H3;4*2-3H,1H3;5*1-2H3
InChIKeyUUVOTXKCLXAQTK-UHFFFAOYSA-N
XLogP10.89
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.02
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 159901643
ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-4H-imidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158233613
2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole
CID 162083327
carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)
CID 159112707
bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,4-dimethyl-1,3-thiazole);2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
CID 161026209
ethane;4-methyl-1,3-thiazole
CID 67067033
2-methoxy-1,3-thiazole;4-methyl-1,3-thiazole
CID 175451508
iridium;5-methyl-1,3-thiazole
CID 141044355
5-methyl-1,3-thiazole;1,3-thiazole
CID 161351988
5-methyl-1,3-oxazole
CID 143294178
ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 158146508
2,5-dimethyl-1H-imidazole;1-methylimidazole
CID 159800988

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 161199961) is ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.Cc1cnco1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1ccnc1.
What is the InChIKey of ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is UUVOTXKCLXAQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C4H5NO.3C4H5NS.5C2H6/c1-6-3-2-5-4-6;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;5*1-2/h2-4H,1H3;4*2-3H,1H3;5*1-2H3.
What are the key properties of ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 613.02 g/mol, XLogP of 10.89, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 161199961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).