4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine

C208H171N51O6S4 — CID 158453152

About 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine

4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158453152) has the molecular formula C208H171N51O6S4 and a molecular weight of 3609.27 g/mol. Its IUPAC name is 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 158453152
• Molecular Formula: C208H171N51O6S4
• Molecular Weight: 3609.27 g/mol
• Exact Mass: 3606.35
• IUPAC Name: 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine
• SMILES: C1=CC2SC=CC2C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2ncoc2cn1.c1cc2ocnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnc2ncoc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1
• InChI: InChI=1S/3C8H7N.C8H6O.2C8H6S.14C7H6N2.C7H5NO.C7H8S.3C6H5N3.4C6H4N2O.C6H4N2S/c6*1-2-4-8-7(3-1)5-6-9-8;3*1-4-9-7-2-3-8-5-6(1)7;3*1-3-8-5-7-6(1)2-4-9-7;4*1-2-6-7(8-4-1)3-5-9-6;3*1-2-6-3-5-9-7(6)8-4-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-6-4-5-8-7(6)3-1;2*1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;2*1-2-5-6(7-3-1)9-4-8-5/h1-4,6H,5H2;2*1-6,9H;3*1-6H;2-5H,1H2;2*1-5,9H;1,3-5H,2H2;2*1-5,9H;2*1-2,4-5H,3H2;2*1-5,9H;1-2,4-5H,3H2;3*1-5H,(H,8,9);1-5H;1,3-7H,2H2;2*1-4H,(H,8,9);1-4H,(H,7,8,9);5*1-4H
• InChIKey: HEGAMGONFRPAKB-UHFFFAOYSA-N
• XLogP: 48.76
• TPSA: 773.65 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 47
• Heavy Atoms: 269
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3609.27
LogP ≤ 5	48.76
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine (CID 158453152) is 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine is C1=CC2SC=CC2C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2ncoc2cn1.c1cc2ocnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnc2ncoc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.

What is the InChIKey of 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is HEGAMGONFRPAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H7N.C8H6O.2C8H6S.14C7H6N2.C7H5NO.C7H8S.3C6H5N3.4C6H4N2O.C6H4N2S/c6*1-2-4-8-7(3-1)5-6-9-8;3*1-4-9-7-2-3-8-5-6(1)7;3*1-3-8-5-7-6(1)2-4-9-7;4*1-2-6-7(8-4-1)3-5-9-6;3*1-2-6-3-5-9-7(6)8-4-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-6-4-5-8-7(6)3-1;2*1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;2*1-2-5-6(7-3-1)9-4-8-5/h1-4,6H,5H2;2*1-6,9H;3*1-6H;2-5H,1H2;2*1-5,9H;1,3-5H,2H2;2*1-5,9H;2*1-2,4-5H,3H2;2*1-5,9H;1-2,4-5H,3H2;3*1-5H,(H,8,9);1-5H;1,3-7H,2H2;2*1-4H,(H,8,9);1-4H,(H,7,8,9);5*1-4H.

What are the key properties of 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine?

4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 3609.27 g/mol, XLogP of 48.76, 0 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1H-benzimidazole;1-benzofuran;bis(1-benzothiophene);1,3-benzoxazole;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);bis(1H-indole);3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;bis(1H-pyrrolo[2,3-b]pyridine);bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158453152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).