ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene

C83H128N4OS3 — CID 161085472

IUPACethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
SMILESCC.CC.CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1
InChIInChI=1S/C11H16.C10H14.3C9H13N.C8H12O.2C8H12S.C7H11NS.2C2H6/c1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;2*1-2/h4-10H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3;2*1-2H3
InChIKeyUGLIJGBIPKRXBS-UHFFFAOYSA-N
MW1294.16 g/mol
LogP25.94
Rot. Bonds18

About ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene

ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene (PubChem CID 161085472) has the molecular formula C83H128N4OS3 and a molecular weight of 1294.16 g/mol. Its IUPAC name is ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene.

Molecular Properties

Compound Nameethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
PubChem CID161085472
Molecular FormulaC83H128N4OS3
Molecular Weight1294.16 g/mol
Exact Mass1292.93
IUPAC Nameethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
SMILESCC.CC.CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1
InChIInChI=1S/C11H16.C10H14.3C9H13N.C8H12O.2C8H12S.C7H11NS.2C2H6/c1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;2*1-2/h4-10H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3;2*1-2H3
InChIKeyUGLIJGBIPKRXBS-UHFFFAOYSA-N
XLogP25.94
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001294.16
LogP ≤ 525.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene 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

2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
Methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate
CID 122378752
Phenylfurylthieno[2,3-b]pyridyl-methane
CID 129874477
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
7-(furan-3-yl)-3-[[4-hydroxy-1-[(3R,4R)-1-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]thieno[3,4-d]pyrimidin-4-one
CID 138608605
(8-Dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane
CID 140811625
1-[2-(Cyclohexen-1-yl)-2-cyclohexyl-5-(furan-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylcyclopentyl]isoquinoline
CID 140991969

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The IUPAC name of ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene (CID 161085472) is ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene.
What is the SMILES notation for ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The canonical SMILES for ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene is CC.CC.CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1.
What is the InChIKey of ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The InChIKey is UGLIJGBIPKRXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H14.3C9H13N.C8H12O.2C8H12S.C7H11NS.2C2H6/c1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;2*1-2/h4-10H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene has a molecular weight of 1294.16 g/mol, XLogP of 25.94, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbutan-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene is sourced from PubChem (CID 161085472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).