ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole

C53H102N10O2S — CID 159273869

IUPACethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1CCC=N1.CC1CCOC1.Cc1cccnc1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnco1.Cc1cncs1
InChIInChI=1S/C6H7N.C5H6N2.C5H9N.C5H10O.2C4H6N2.C4H5NO.C4H5NS.8C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-4-2-5-3-6-4;8*1-2/h2-5H,1H3;2-4H,1H3;4-5H,2-3H2,1H3;5H,2-4H2,1H3;2*2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1-2H3
InChIKeyKYAZGDPFPWHTSP-UHFFFAOYSA-N
MW943.53 g/mol
LogP16.54
Rot. Bonds

About ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole

ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole (PubChem CID 159273869) has the molecular formula C53H102N10O2S and a molecular weight of 943.53 g/mol. Its IUPAC name is ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole
PubChem CID159273869
Molecular FormulaC53H102N10O2S
Molecular Weight943.53 g/mol
Exact Mass942.79
IUPAC Nameethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1CCC=N1.CC1CCOC1.Cc1cccnc1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnco1.Cc1cncs1
InChIInChI=1S/C6H7N.C5H6N2.C5H9N.C5H10O.2C4H6N2.C4H5NO.C4H5NS.8C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-4-2-5-3-6-4;8*1-2/h2-5H,1H3;2-4H,1H3;4-5H,2-3H2,1H3;5H,2-4H2,1H3;2*2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1-2H3
InChIKeyKYAZGDPFPWHTSP-UHFFFAOYSA-N
XLogP16.54
TPSA156.54 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.53
LogP ≤ 516.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole with MolForge

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Related Compounds

Ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 157226919
ethane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157291042
1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1,3,5-triazine
CID 157528866
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792
ethane;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;3-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
CID 157682153
ethane;2-methyl-3,4-dihydro-2H-pyrrole;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157811678
2-methylpropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 157854875
1H-imidazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;1,3,5-triazine
CID 157913383
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158053582
2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
CID 158455411
1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
CID 158682412
Ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-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 158753127

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole?
The IUPAC name of ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole (CID 159273869) is ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC=N1.CC1CCOC1.Cc1cccnc1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.
What is the InChIKey of ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole?
The InChIKey is KYAZGDPFPWHTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H6N2.C5H9N.C5H10O.2C4H6N2.C4H5NO.C4H5NS.8C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-4-2-5-3-6-4;8*1-2/h2-5H,1H3;2-4H,1H3;4-5H,2-3H2,1H3;5H,2-4H2,1H3;2*2-3H,1H3,(H,5,6);2*2-3H,1H3;8*1-2H3.
What are the key properties of ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole?
ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole has a molecular weight of 943.53 g/mol, XLogP of 16.54, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole is sourced from PubChem (CID 159273869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).