2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene

C82H114FN9O3S3 — CID 158605471

IUPAC2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene
SMILESC.C.CCN1CCCC1.CCN1CCOCC1.Cc1ccc(F)cc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccco1.Cc1ccncc1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1csc(C)n1.Cc1nccs1
InChIInChI=1S/C7H7F.C7H8.C6H13NO.5C6H7N.C6H13N.C5H7NS.2C5H6O.C5H6S.C4H5NS.2CH4/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-2-7-3-5-8-6-4-7;2*1-6-2-4-7-5-3-6;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-7-5-3-4-6-7;1-4-3-7-5(2)6-4;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-4-5-2-3-6-4;;/h2-5H,1H3;2-6H,1H3;2-6H2,1H3;5*2-5H,1H3;2-6H2,1H3;3H,1-2H3;3*2-4H,1H3;2-3H,1H3;2*1H4
InChIKeyHWDXEOFWVXOUDE-UHFFFAOYSA-N
MW1389.07 g/mol
LogP22.24
Rot. Bonds2

About 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene

2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene (PubChem CID 158605471) has the molecular formula C82H114FN9O3S3 and a molecular weight of 1389.07 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene
PubChem CID158605471
Molecular FormulaC82H114FN9O3S3
Molecular Weight1389.07 g/mol
Exact Mass1387.82
IUPAC Name2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene
SMILESC.C.CCN1CCCC1.CCN1CCOCC1.Cc1ccc(F)cc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccco1.Cc1ccncc1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1csc(C)n1.Cc1nccs1
InChIInChI=1S/C7H7F.C7H8.C6H13NO.5C6H7N.C6H13N.C5H7NS.2C5H6O.C5H6S.C4H5NS.2CH4/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-2-7-3-5-8-6-4-7;2*1-6-2-4-7-5-3-6;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-7-5-3-4-6-7;1-4-3-7-5(2)6-4;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-4-5-2-3-6-4;;/h2-5H,1H3;2-6H,1H3;2-6H2,1H3;5*2-5H,1H3;2-6H2,1H3;3H,1-2H3;3*2-4H,1H3;2-3H,1H3;2*1H4
InChIKeyHWDXEOFWVXOUDE-UHFFFAOYSA-N
XLogP22.24
TPSA132.22 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.07
LogP ≤ 522.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone
CID 161655659
3,3-difluoro-1-methylpiperidine;3,4-dimethylfuran;tris(1,2-dimethylpiperidine);bis(2,3-dimethylpyridine);3,4-dimethylpyridine;3,4-dimethyl-2H-pyrrole;1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine;1,2,3-trimethylbenzene;2,3,4-trimethylpyridine;3,4,5-trimethyl-2H-pyrrole;1,2,5-trimethylpyrrolidine;1,2-xylene
CID 161662824
but-2-yne;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanimidamide;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;N'-methylethanimidamide;2-methylfuran;N-methylimidazolidin-2-imine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;1-piperidin-1-ylethanimine;prop-1-yne;1-pyrrolidin-1-ylethanimine;toluene
CID 157127796
2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 157267949
2,2-Dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene
CID 157281986
2,3-Dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157401617
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;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;3-propan-2-ylthiophene
CID 157431953
Cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157439072
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157483645
ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;5-methyl-3H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157516756
4,5-dihydro-1,3-oxazole;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanimidamide;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);5-methyl-3,4-dihydro-2H-pyrrole;N'-methylethanimidamide;2-methylfuran;N-methylimidazolidin-2-imine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;toluene
CID 157573776
Ethane;methane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157576652

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene (CID 158605471) is 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene is C.C.CCN1CCCC1.CCN1CCOCC1.Cc1ccc(F)cc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccco1.Cc1ccncc1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1csc(C)n1.Cc1nccs1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene?
The InChIKey is HWDXEOFWVXOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C7H8.C6H13NO.5C6H7N.C6H13N.C5H7NS.2C5H6O.C5H6S.C4H5NS.2CH4/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-2-7-3-5-8-6-4-7;2*1-6-2-4-7-5-3-6;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-7-5-3-4-6-7;1-4-3-7-5(2)6-4;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-4-5-2-3-6-4;;/h2-5H,1H3;2-6H,1H3;2-6H2,1H3;5*2-5H,1H3;2-6H2,1H3;3H,1-2H3;3*2-4H,1H3;2-3H,1H3;2*1H4.
What are the key properties of 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene?
2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene has a molecular weight of 1389.07 g/mol, XLogP of 22.24, 2 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene is sourced from PubChem (CID 158605471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).