azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene

C146H321N17OS2 — CID 162168432

IUPACazetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene
SMILESC.C1CCNC1.C1CNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)n1cccn1.CC(C)n1ccnc1.Cn1cccn1.c1ccccc1.c1ccncc1.c1ccsc1.c1cncnc1.c1cscn1
InChIInChI=1S/C8H18N2.C7H15NO.C7H15N.2C6H10N2.C6H13N.C6H12.C6H6.C5H5N.C4H6N2.C4H4N2.C4H9N.C4H4S.9C4H10.C3H3NS.C3H7N.15C2H6.CH4/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-5-4-6-3-1;2*1-2-4-5-3-1;9*1-4(2)3;1-2-5-3-4-1;1-2-4-3-1;15*1-2;/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-6H;1-5H;2-4H,1H3;1-4H;5H,1-4H2;1-4H;9*4H,1-3H3;1-3H;4H,1-3H2;15*1-2H3;1H4
InChIKeyZNLMRRKZYXUMLJ-UHFFFAOYSA-N
MW2395.43 g/mol
LogP46.84
Rot. Bonds7

About azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene

azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene (PubChem CID 162168432) has the molecular formula C146H321N17OS2 and a molecular weight of 2395.43 g/mol. Its IUPAC name is azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene.

Molecular Properties

Compound Nameazetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene
PubChem CID162168432
Molecular FormulaC146H321N17OS2
Molecular Weight2395.43 g/mol
Exact Mass2393.50
IUPAC Nameazetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene
SMILESC.C1CCNC1.C1CNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)n1cccn1.CC(C)n1ccnc1.Cn1cccn1.c1ccccc1.c1ccncc1.c1ccsc1.c1cncnc1.c1cscn1
InChIInChI=1S/C8H18N2.C7H15NO.C7H15N.2C6H10N2.C6H13N.C6H12.C6H6.C5H5N.C4H6N2.C4H4N2.C4H9N.C4H4S.9C4H10.C3H3NS.C3H7N.15C2H6.CH4/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-5-4-6-3-1;2*1-2-4-5-3-1;9*1-4(2)3;1-2-5-3-4-1;1-2-4-3-1;15*1-2;/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-6H;1-5H;2-4H,1H3;1-4H;5H,1-4H2;1-4H;9*4H,1-3H3;1-3H;4H,1-3H2;15*1-2H3;1H4
InChIKeyZNLMRRKZYXUMLJ-UHFFFAOYSA-N
XLogP46.84
TPSA154.51 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002395.43
LogP ≤ 546.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene?
The IUPAC name of azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene (CID 162168432) is azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene.
What is the SMILES notation for azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene?
The canonical SMILES for azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene is C.C1CCNC1.C1CNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)n1cccn1.CC(C)n1ccnc1.Cn1cccn1.c1ccccc1.c1ccncc1.c1ccsc1.c1cncnc1.c1cscn1.
What is the InChIKey of azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene?
The InChIKey is ZNLMRRKZYXUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H15NO.C7H15N.2C6H10N2.C6H13N.C6H12.C6H6.C5H5N.C4H6N2.C4H4N2.C4H9N.C4H4S.9C4H10.C3H3NS.C3H7N.15C2H6.CH4/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-5-4-6-3-1;2*1-2-4-5-3-1;9*1-4(2)3;1-2-5-3-4-1;1-2-4-3-1;15*1-2;/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-6H;1-5H;2-4H,1H3;1-4H;5H,1-4H2;1-4H;9*4H,1-3H3;1-3H;4H,1-3H2;15*1-2H3;1H4.
What are the key properties of azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene?
azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene has a molecular weight of 2395.43 g/mol, XLogP of 46.84, 7 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;benzene;ethane;methane;nonakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene is sourced from PubChem (CID 162168432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).