cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene

C107H117N27O2S3 — CID 158536347

About cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene

cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene (PubChem CID 158536347) has the molecular formula C107H117N27O2S3 and a molecular weight of 1909.50 g/mol. Its IUPAC name is cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene.

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene
• PubChem CID: 158536347
• Molecular Formula: C107H117N27O2S3
• Molecular Weight: 1909.50 g/mol
• Exact Mass: 1907.90
• IUPAC Name: cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene
• SMILES: C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1CCNC1.C1CCNCC1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn2c(n1)CCCC2.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cnc2scnc2c1.c1cnccn1.c1cscn1.c1nnco1
• InChI: InChI=1S/C9H7N.C8H7N.2C7H6N2.C7H10N2.C7H6N2.C6H4N2S.C5H11N.2C5H5N.C5H6.2C4H4N2.C4H9N.2C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NS.C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;2*1-2-5-9-6-4-8-7(9)3-1;1-2-5-6(7-3-1)9-4-8-5;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;6*1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1/h1-7H;1-6,9H;1-5,9H;1-5H,(H,8,9);4,6H,1-3,5H2;1-6H;1-4H;6H,1-5H2;2*1-5H;1-4H,5H2;2*1-4H;5H,1-4H2;1,3-4H,2H2;1-3H,4H2;2*1-4H;1-3H,(H,4,5);1-3H;1-2H
• InChIKey: HNZIHEVMKMQTMM-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 366.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.50
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene?

The IUPAC name of cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene (CID 158536347) is cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene.

What is the SMILES notation for cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene?

The canonical SMILES for cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene is C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1CCNC1.C1CCNCC1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn2c(n1)CCCC2.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cnc2scnc2c1.c1cnccn1.c1cscn1.c1nnco1.

What is the InChIKey of cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene?

The InChIKey is HNZIHEVMKMQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H7N.2C7H6N2.C7H10N2.C7H6N2.C6H4N2S.C5H11N.2C5H5N.C5H6.2C4H4N2.C4H9N.2C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NS.C2H2N2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;2*1-2-5-9-6-4-8-7(9)3-1;1-2-5-6(7-3-1)9-4-8-5;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;6*1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1/h1-7H;1-6,9H;1-5,9H;1-5H,(H,8,9);4,6H,1-3,5H2;1-6H;1-4H;6H,1-5H2;2*1-5H;1-4H,5H2;2*1-4H;5H,1-4H2;1,3-4H,2H2;1-3H,4H2;2*1-4H;1-3H,(H,4,5);1-3H;1-2H.

What are the key properties of cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene?

cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene has a molecular weight of 1909.50 g/mol, XLogP of 23.77, 0 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene is sourced from PubChem (CID 158536347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).