ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide

C90H169N11O8S5 — CID 158285533

IUPACethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CC=CS1(=O)=O.CC(C)C1=CS(=O)(=O)C=C1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1cscn1
InChIInChI=1S/2C7H10O2S.2C6H10N2.4C6H9NO.3C6H9NS.11C2H6/c1-6(2)7-3-4-10(8,9)5-7;1-6(2)7-4-3-5-10(7,8)9;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;11*1-2/h2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;11*1-2H3
InChIKeyGKSREFUMKXHLGM-UHFFFAOYSA-N
MW1693.75 g/mol
LogP31.28
Rot. Bonds11

About ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide

ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide (PubChem CID 158285533) has the molecular formula C90H169N11O8S5 and a molecular weight of 1693.75 g/mol. Its IUPAC name is ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide.

Molecular Properties

Compound Nameethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide
PubChem CID158285533
Molecular FormulaC90H169N11O8S5
Molecular Weight1693.75 g/mol
Exact Mass1692.18
IUPAC Nameethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CC=CS1(=O)=O.CC(C)C1=CS(=O)(=O)C=C1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1cscn1
InChIInChI=1S/2C7H10O2S.2C6H10N2.4C6H9NO.3C6H9NS.11C2H6/c1-6(2)7-3-4-10(8,9)5-7;1-6(2)7-4-3-5-10(7,8)9;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;11*1-2/h2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;11*1-2H3
InChIKeyGKSREFUMKXHLGM-UHFFFAOYSA-N
XLogP31.28
TPSA268.43 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001693.75
LogP ≤ 531.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;bis(5-methyl-2-propan-2-yl-1H-imidazole);1-methyl-3-propan-2-ylimidazolidin-2-one;1-methyl-3-propan-2-ylimidazol-2-one;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-2H-pyrrole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole
CID 157139190
1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane
CID 157516701
5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole
CID 158167613
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158707550
methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 158789481
ethane;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 158897466
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158920930
bis(5-methyl-2-propan-2-yl-1H-imidazole);1-methyl-3-propan-2-ylimidazol-2-one;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-2H-pyrrole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole
CID 159261867
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene
CID 160070901
2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-5-ethynyl-2H-pyrrole
CID 160106096
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 160492453
2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole
CID 160495828

Frequently Asked Questions

What is the IUPAC name of ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide?
The IUPAC name of ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide (CID 158285533) is ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide.
What is the SMILES notation for ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide?
The canonical SMILES for ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CC=CS1(=O)=O.CC(C)C1=CS(=O)(=O)C=C1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1cscn1.
What is the InChIKey of ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide?
The InChIKey is GKSREFUMKXHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10O2S.2C6H10N2.4C6H9NO.3C6H9NS.11C2H6/c1-6(2)7-3-4-10(8,9)5-7;1-6(2)7-4-3-5-10(7,8)9;2*1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;11*1-2/h2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;11*1-2H3.
What are the key properties of ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide?
ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide has a molecular weight of 1693.75 g/mol, XLogP of 31.28, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene 1,1-dioxide;3-propan-2-ylthiophene 1,1-dioxide is sourced from PubChem (CID 158285533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).