1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C47H89N11O4S3 — CID 162172033

IUPAC1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cn(C)cn1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nnco1.Cc1nncs1
InChIInChI=1S/C5H8N2.3C4H5NO.2C4H5NS.C3H4N2O.C3H4N2S.8C2H6/c1-5-3-7(2)4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-3-5-4-2-6-3;8*1-2/h3-4H,1-2H3;5*2-3H,1H3;2*2H,1H3;8*1-2H3
InChIKeyZNXOQYVKJFWCQO-UHFFFAOYSA-N
MW968.50 g/mol
LogP16.01
Rot. Bonds

About 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 162172033) has the molecular formula C47H89N11O4S3 and a molecular weight of 968.50 g/mol. Its IUPAC name is 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID162172033
Molecular FormulaC47H89N11O4S3
Molecular Weight968.50 g/mol
Exact Mass967.63
IUPAC Name1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cn(C)cn1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nnco1.Cc1nncs1
InChIInChI=1S/C5H8N2.3C4H5NO.2C4H5NS.C3H4N2O.C3H4N2S.8C2H6/c1-5-3-7(2)4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-3-5-4-2-6-3;8*1-2/h3-4H,1-2H3;5*2-3H,1H3;2*2H,1H3;8*1-2H3
InChIKeyZNXOQYVKJFWCQO-UHFFFAOYSA-N
XLogP16.01
TPSA186.39 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500968.50
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 162172033) is 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cn(C)cn1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nnco1.Cc1nncs1.
What is the InChIKey of 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is ZNXOQYVKJFWCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.3C4H5NO.2C4H5NS.C3H4N2O.C3H4N2S.8C2H6/c1-5-3-7(2)4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-3-5-4-2-6-3;8*1-2/h3-4H,1-2H3;5*2-3H,1H3;2*2H,1H3;8*1-2H3.
What are the key properties of 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 968.50 g/mol, XLogP of 16.01, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 162172033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).