acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene

C106H90N16O4S4 — CID 157252834

About acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene

acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene (PubChem CID 157252834) has the molecular formula C106H90N16O4S4 and a molecular weight of 1780.26 g/mol. Its IUPAC name is acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
• PubChem CID: 157252834
• Molecular Formula: C106H90N16O4S4
• Molecular Weight: 1780.26 g/mol
• Exact Mass: 1778.62
• IUPAC Name: acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
• SMILES: c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cocn1.c1cscn1
• InChI: InChI=1S/C13H9N.2C9H7N.C8H7N.C8H6O.C8H6S.C7H6N2.C7H5NO.C7H5NS.C5H5N.C4H4N2.C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;3*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1/h1-9H;2*1-7H;1-6,9H;2*1-6H;1-5H,(H,8,9);2*1-5H;1-5H;1-4H;1-5H;2*1-4H;1-3H,(H,4,5);2*1-3H
• InChIKey: AWNOELHPVMRPTM-UHFFFAOYSA-N
• XLogP: 28.87
• TPSA: 270.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.26
LogP ≤ 5	28.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene?

The IUPAC name of acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene (CID 157252834) is acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene.

What is the SMILES notation for acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene?

The canonical SMILES for acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene is c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cocn1.c1cscn1.

What is the InChIKey of acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene?

The InChIKey is AWNOELHPVMRPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.2C9H7N.C8H7N.C8H6O.C8H6S.C7H6N2.C7H5NO.C7H5NS.C5H5N.C4H4N2.C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;3*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1/h1-9H;2*1-7H;1-6,9H;2*1-6H;1-5H,(H,8,9);2*1-5H;1-5H;1-4H;1-5H;2*1-4H;1-3H,(H,4,5);2*1-3H.

What are the key properties of acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene?

acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene has a molecular weight of 1780.26 g/mol, XLogP of 28.87, 0 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene is sourced from PubChem (CID 157252834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).