ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole

C168H256N64O9S10 — CID 160638667

IUPACethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole
SMILESCC.CC1=NC=CC1.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCSCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccnnc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cnns1.Cc1cocn1.Cc1cocn1.Cc1cscn1.Cc1csnn1.Cc1nccs1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1ccccc1=O.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.Cn1cnnn1.Cn1cnnn1.Cn1nccn1
InChIInChI=1S/C6H7NO.2C6H7N.C6H13N.C6H7N.C5H6N2.C5H12N2.2C5H6N2.C5H11NO2S.C5H11NO.C5H11NS.C5H11N.2C5H7N.C5H6O.2C5H6S.4C4H6N2.3C4H5NO.3C4H5NS.5C3H5N3.C3H4N2O.3C3H4N2S.2C2H4N4.C2H6/c1-7-5-3-2-4-6(7)8;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-2-3-6-7-4-5;1-6-2-4-9(7,8)5-3-6;2*1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;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;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-2-4-6-5-3;2*1-3-5-4-2-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;2*1-6-2-3-4-5-6;1-2/h2-5H,1H3;2*2-5H,1H3;2-6H2,1H3;2-5H,1H3;2-4H,1H3;6H,2-5H2,1H3;2*2-4H,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2,4H,3H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);10*2-3H,1H3;2H,1H3,(H,4,5,6);6*2H,1H3;1-2H3
InChIKeyRIWLJHDJESKGJP-UHFFFAOYSA-N
MW3637.00 g/mol
LogP27.61
Rot. Bonds

About ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole

ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole (PubChem CID 160638667) has the molecular formula C168H256N64O9S10 and a molecular weight of 3637.00 g/mol. Its IUPAC name is ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole.

Molecular Properties

Compound Nameethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole
PubChem CID160638667
Molecular FormulaC168H256N64O9S10
Molecular Weight3637.00 g/mol
Exact Mass3633.87
IUPAC Nameethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole
SMILESCC.CC1=NC=CC1.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCSCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccnnc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cnns1.Cc1cocn1.Cc1cocn1.Cc1cscn1.Cc1csnn1.Cc1nccs1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1ccccc1=O.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.Cn1cnnn1.Cn1cnnn1.Cn1nccn1
InChIInChI=1S/C6H7NO.2C6H7N.C6H13N.C6H7N.C5H6N2.C5H12N2.2C5H6N2.C5H11NO2S.C5H11NO.C5H11NS.C5H11N.2C5H7N.C5H6O.2C5H6S.4C4H6N2.3C4H5NO.3C4H5NS.5C3H5N3.C3H4N2O.3C3H4N2S.2C2H4N4.C2H6/c1-7-5-3-2-4-6(7)8;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-2-3-6-7-4-5;1-6-2-4-9(7,8)5-3-6;2*1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;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;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-2-4-6-5-3;2*1-3-5-4-2-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;2*1-6-2-3-4-5-6;1-2/h2-5H,1H3;2*2-5H,1H3;2-6H2,1H3;2-5H,1H3;2-4H,1H3;6H,2-5H2,1H3;2*2-4H,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2,4H,3H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);10*2-3H,1H3;2H,1H3,(H,4,5,6);6*2H,1H3;1-2H3
InChIKeyRIWLJHDJESKGJP-UHFFFAOYSA-N
XLogP27.61
TPSA820.91 Ų
H-Bond Donors4
H-Bond Acceptors79
Rotatable Bonds
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003637.00
LogP ≤ 527.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1079

Analyze ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 158270183
1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole
CID 159051982
2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;4-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine;2,4-ditert-butyl-1,3-oxazole
CID 160329704
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450
CID 157053806
CID 157053806
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-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;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
2,5-Dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157063733
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;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;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;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;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole?
The IUPAC name of ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole (CID 160638667) is ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole.
What is the SMILES notation for ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole?
The canonical SMILES for ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole is CC.CC1=NC=CC1.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCSCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccnnc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cnns1.Cc1cocn1.Cc1cocn1.Cc1cscn1.Cc1csnn1.Cc1nccs1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1ccccc1=O.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.Cn1cnnn1.Cn1cnnn1.Cn1nccn1.
What is the InChIKey of ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole?
The InChIKey is RIWLJHDJESKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.2C6H7N.C6H13N.C6H7N.C5H6N2.C5H12N2.2C5H6N2.C5H11NO2S.C5H11NO.C5H11NS.C5H11N.2C5H7N.C5H6O.2C5H6S.4C4H6N2.3C4H5NO.3C4H5NS.5C3H5N3.C3H4N2O.3C3H4N2S.2C2H4N4.C2H6/c1-7-5-3-2-4-6(7)8;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-2-3-6-7-4-5;1-6-2-4-9(7,8)5-3-6;2*1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;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;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-2-4-6-5-3;2*1-3-5-4-2-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;2*1-6-2-3-4-5-6;1-2/h2-5H,1H3;2*2-5H,1H3;2-6H2,1H3;2-5H,1H3;2-4H,1H3;6H,2-5H2,1H3;2*2-4H,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2,4H,3H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);10*2-3H,1H3;2H,1H3,(H,4,5,6);6*2H,1H3;1-2H3.
What are the key properties of ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole?
ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole has a molecular weight of 3637.00 g/mol, XLogP of 27.61, 0 rotatable bonds, 4 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole is sourced from PubChem (CID 160638667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).