1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium

C241H422N18O4S8+16 — CID 157255402

IUPAC1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CCS2)CC1.CC(C)C1CCC(C[NH+]2C=CCS2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1C=CCS1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(CC2C=CCS2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C15H21N2.C15H24N.C15H18N.C14H25N2.C14H22N.C14H24S.C14H18S.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H21NS.C12H20NS.C10H16N.C8H14NO.C8H15NS.C8H14NS.18CH4/c1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)12-5-4-11(8-12)9-13-6-3-7-14-13;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)3-4-9-5-6-10-7-9;1-8(2)4-6-9-5-3-7-10-9;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;;;;;/h5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-4,11-14H,5-10H2,1-2H3;3-8,11,14H,9-10H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3,6,10-12H,4-5,7-9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;5-8H,3-4H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;18*1H4/q5*+1;;;5*+1;;3*+1;;+1;;;;;;;;;;;;;;;;;;/p+2
InChIKeyAWVIXAAGTWELFZ-UHFFFAOYSA-P
MW3892.68 g/mol
LogP62.60
Rot. Bonds56

About 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium

1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium (PubChem CID 157255402) has the molecular formula C241H422N18O4S8+16 and a molecular weight of 3892.68 g/mol. Its IUPAC name is 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium.

Molecular Properties

Compound Name1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
PubChem CID157255402
Molecular FormulaC241H422N18O4S8+16
Molecular Weight3892.68 g/mol
Exact Mass3889.10
IUPAC Name1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CCS2)CC1.CC(C)C1CCC(C[NH+]2C=CCS2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1C=CCS1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(CC2C=CCS2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C15H21N2.C15H24N.C15H18N.C14H25N2.C14H22N.C14H24S.C14H18S.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H21NS.C12H20NS.C10H16N.C8H14NO.C8H15NS.C8H14NS.18CH4/c1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)12-5-4-11(8-12)9-13-6-3-7-14-13;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)3-4-9-5-6-10-7-9;1-8(2)4-6-9-5-3-7-10-9;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;;;;;/h5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-4,11-14H,5-10H2,1-2H3;3-8,11,14H,9-10H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3,6,10-12H,4-5,7-9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;5-8H,3-4H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;18*1H4/q5*+1;;;5*+1;;3*+1;;+1;;;;;;;;;;;;;;;;;;/p+2
InChIKeyAWVIXAAGTWELFZ-UHFFFAOYSA-P
XLogP62.60
TPSA125.62 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds56
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003892.68
LogP ≤ 562.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The IUPAC name of 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium (CID 157255402) is 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium.
What is the SMILES notation for 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The canonical SMILES for 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CCS2)CC1.CC(C)C1CCC(C[NH+]2C=CCS2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1C=CCS1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(CC2C=CCS2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The InChIKey is AWVIXAAGTWELFZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H21N2.C15H24N.C15H18N.C14H25N2.C14H22N.C14H24S.C14H18S.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H21NS.C12H20NS.C10H16N.C8H14NO.C8H15NS.C8H14NS.18CH4/c1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)12-5-4-11(8-12)9-13-6-3-7-14-13;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)3-4-9-5-6-10-7-9;1-8(2)4-6-9-5-3-7-10-9;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;;;;;/h5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-4,11-14H,5-10H2,1-2H3;3-8,11,14H,9-10H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3,6,10-12H,4-5,7-9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;5-8H,3-4H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;18*1H4/q5*+1;;;5*+1;;3*+1;;+1;;;;;;;;;;;;;;;;;;/p+2.
What are the key properties of 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium has a molecular weight of 3892.68 g/mol, XLogP of 62.60, 56 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium is sourced from PubChem (CID 157255402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).