azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole

C127H226F3N31O2S2 — CID 157320197

IUPACazetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole
SMILESC1CCNC1.C1CCNCC1.C1CNC1.C1COCCN1.CC1(C)CCNC1.CC1CCCCC1.CN(C)C1CCCCC1.CN1CCC1.CN1CCCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1.Cc1cccc(C)n1.Cc1nccs1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.FC1(F)CCNC1.FC1CCNC1.c1c[nH]cn1.c1c[nH]cn1.c1ccccc1.c1ccncc1.c1ccncc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H17N.C7H9N.C7H14.3C6H13N.C6H6.C5H12N2.3C5H11N.2C5H5N.C4H7F2N.C4H8FN.3C4H6N2.C4H9NO.C4H5NS.2C4H9N.2C3H4N2.C3H3NO.C3H3NS.C3H7N/c1-9(2)8-6-4-3-5-7-8;1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;1-6(2)3-4-7-5-6;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-7-4-2-6-3-5-7;2*1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;5-4(6)1-2-7-3-4;5-4-1-2-6-3-4;3*1-6-3-2-5-4-6;1-3-6-4-2-5-1;1-4-5-2-3-6-4;1-5-3-2-4-5;1-2-4-5-3-1;4*1-2-5-3-4-1;1-2-4-3-1/h8H,3-7H2,1-2H3;3-5H,1-2H3;7H,2-6H2,1H3;7H,3-5H2,1-2H3;2*2-6H2,1H3;1-6H;6H,2-5H2,1H3;2*2-5H2,1H3;6H,1-5H2;2*1-5H;7H,1-3H2;4,6H,1-3H2;3*2-4H,1H3;5H,1-4H2;2-3H,1H3;2-4H2,1H3;5H,1-4H2;2*1-3H,(H,4,5);2*1-3H;4H,1-3H2
InChIKeyBEBNANMGNDVMHU-UHFFFAOYSA-N
MW2340.55 g/mol
LogP21.49
Rot. Bonds1

About azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole

azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole (PubChem CID 157320197) has the molecular formula C127H226F3N31O2S2 and a molecular weight of 2340.55 g/mol. Its IUPAC name is azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole.

Molecular Properties

Compound Nameazetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole
PubChem CID157320197
Molecular FormulaC127H226F3N31O2S2
Molecular Weight2340.55 g/mol
Exact Mass2338.79
IUPAC Nameazetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole
SMILESC1CCNC1.C1CCNCC1.C1CNC1.C1COCCN1.CC1(C)CCNC1.CC1CCCCC1.CN(C)C1CCCCC1.CN1CCC1.CN1CCCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1.Cc1cccc(C)n1.Cc1nccs1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.FC1(F)CCNC1.FC1CCNC1.c1c[nH]cn1.c1c[nH]cn1.c1ccccc1.c1ccncc1.c1ccncc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H17N.C7H9N.C7H14.3C6H13N.C6H6.C5H12N2.3C5H11N.2C5H5N.C4H7F2N.C4H8FN.3C4H6N2.C4H9NO.C4H5NS.2C4H9N.2C3H4N2.C3H3NO.C3H3NS.C3H7N/c1-9(2)8-6-4-3-5-7-8;1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;1-6(2)3-4-7-5-6;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-7-4-2-6-3-5-7;2*1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;5-4(6)1-2-7-3-4;5-4-1-2-6-3-4;3*1-6-3-2-5-4-6;1-3-6-4-2-5-1;1-4-5-2-3-6-4;1-5-3-2-4-5;1-2-4-5-3-1;4*1-2-5-3-4-1;1-2-4-3-1/h8H,3-7H2,1-2H3;3-5H,1-2H3;7H,2-6H2,1H3;7H,3-5H2,1-2H3;2*2-6H2,1H3;1-6H;6H,2-5H2,1H3;2*2-5H2,1H3;6H,1-5H2;2*1-5H;7H,1-3H2;4,6H,1-3H2;3*2-4H,1H3;5H,1-4H2;2-3H,1H3;2-4H2,1H3;5H,1-4H2;2*1-3H,(H,4,5);2*1-3H;4H,1-3H2
InChIKeyBEBNANMGNDVMHU-UHFFFAOYSA-N
XLogP21.49
TPSA329.45 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds1
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002340.55
LogP ≤ 521.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole?
The IUPAC name of azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole (CID 157320197) is azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole.
What is the SMILES notation for azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole?
The canonical SMILES for azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole is C1CCNC1.C1CCNCC1.C1CNC1.C1COCCN1.CC1(C)CCNC1.CC1CCCCC1.CN(C)C1CCCCC1.CN1CCC1.CN1CCCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1.Cc1cccc(C)n1.Cc1nccs1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.FC1(F)CCNC1.FC1CCNC1.c1c[nH]cn1.c1c[nH]cn1.c1ccccc1.c1ccncc1.c1ccncc1.c1cocn1.c1cscn1.
What is the InChIKey of azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole?
The InChIKey is BEBNANMGNDVMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H9N.C7H14.3C6H13N.C6H6.C5H12N2.3C5H11N.2C5H5N.C4H7F2N.C4H8FN.3C4H6N2.C4H9NO.C4H5NS.2C4H9N.2C3H4N2.C3H3NO.C3H3NS.C3H7N/c1-9(2)8-6-4-3-5-7-8;1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;1-6(2)3-4-7-5-6;2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-7-4-2-6-3-5-7;2*1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;5-4(6)1-2-7-3-4;5-4-1-2-6-3-4;3*1-6-3-2-5-4-6;1-3-6-4-2-5-1;1-4-5-2-3-6-4;1-5-3-2-4-5;1-2-4-5-3-1;4*1-2-5-3-4-1;1-2-4-3-1/h8H,3-7H2,1-2H3;3-5H,1-2H3;7H,2-6H2,1H3;7H,3-5H2,1-2H3;2*2-6H2,1H3;1-6H;6H,2-5H2,1H3;2*2-5H2,1H3;6H,1-5H2;2*1-5H;7H,1-3H2;4,6H,1-3H2;3*2-4H,1H3;5H,1-4H2;2-3H,1H3;2-4H2,1H3;5H,1-4H2;2*1-3H,(H,4,5);2*1-3H;4H,1-3H2.
What are the key properties of azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole?
azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole has a molecular weight of 2340.55 g/mol, XLogP of 21.49, 1 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;benzene;3,3-difluoropyrrolidine;N,N-dimethylcyclohexanamine;2,6-dimethylpyridine;3,3-dimethylpyrrolidine;3-fluoropyrrolidine;bis(1H-imidazole);1-methylazetidine;methylcyclohexane;tris(1-methylimidazole);1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);2-methyl-1,3-thiazole;morpholine;1,3-oxazole;piperidine;bis(pyridine);pyrrolidine;1,3-thiazole is sourced from PubChem (CID 157320197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).