1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole

C139H250N18O3S5 — CID 157095434

About 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole

1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole (PubChem CID 157095434) has the molecular formula C139H250N18O3S5 and a molecular weight of 2381.99 g/mol. Its IUPAC name is 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole.

Molecular Properties

• Compound Name: 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole
• PubChem CID: 157095434
• Molecular Formula: C139H250N18O3S5
• Molecular Weight: 2381.99 g/mol
• Exact Mass: 2379.86
• IUPAC Name: 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole
• SMILES: C1=Cc2ncsc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1ccc2ccccc21.Cn1cnc2c1CCC2.Cn1cnc2c1CCC2.Cn1cnc2ccccc21.c1cc2n(n1)CCC2.c1cc2n(n1)CCCC2.c1ccc2sccc2c1.c1cnc2ncoc2c1.c1nc2c(o1)CCC2.c1nc2c(s1)CCC2.c1nc2c(s1)CCC2.c1nc2ccsc2o1
• InChI: InChI=1S/C9H9N.C8H8N2.C8H6S.3C7H10N2.C6H4N2O.C6H8N2.C6H7NO.2C6H7NS.C6H5NS.C5H3NOS.26C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-10-6-9-7-4-2-3-5-8(7)10;1-2-4-8-7(3-1)5-6-9-8;2*1-9-5-8-6-3-2-4-7(6)9;1-2-6-9-7(3-1)4-5-8-9;1-2-5-6(7-3-1)8-4-9-5;1-2-6-3-4-7-8(6)5-1;4*1-2-5-6(3-1)8-4-7-5;1-2-8-5-4(1)6-3-7-5;26*1-2/h2-7H,1H3;2-6H,1H3;1-6H;2*5H,2-4H2,1H3;4-5H,1-3,6H2;1-4H;3-4H,1-2,5H2;3*4H,1-3H2;1-2,4H,3H2;1-3H;26*1-2H3
• InChIKey: AFDRTWZLWCNTSC-UHFFFAOYSA-N
• XLogP: 46.45
• TPSA: 223.68 Ų
• H-Bond Acceptors: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2381.99
LogP ≤ 5	46.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole?

The IUPAC name of 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole (CID 157095434) is 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole.

What is the SMILES notation for 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole?

The canonical SMILES for 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole is C1=Cc2ncsc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1ccc2ccccc21.Cn1cnc2c1CCC2.Cn1cnc2c1CCC2.Cn1cnc2ccccc21.c1cc2n(n1)CCC2.c1cc2n(n1)CCCC2.c1ccc2sccc2c1.c1cnc2ncoc2c1.c1nc2c(o1)CCC2.c1nc2c(s1)CCC2.c1nc2c(s1)CCC2.c1nc2ccsc2o1.

What is the InChIKey of 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole?

The InChIKey is AFDRTWZLWCNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C8H8N2.C8H6S.3C7H10N2.C6H4N2O.C6H8N2.C6H7NO.2C6H7NS.C6H5NS.C5H3NOS.26C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-10-6-9-7-4-2-3-5-8(7)10;1-2-4-8-7(3-1)5-6-9-8;2*1-9-5-8-6-3-2-4-7(6)9;1-2-6-9-7(3-1)4-5-8-9;1-2-5-6(7-3-1)8-4-9-5;1-2-6-3-4-7-8(6)5-1;4*1-2-5-6(3-1)8-4-7-5;1-2-8-5-4(1)6-3-7-5;26*1-2/h2-7H,1H3;2-6H,1H3;1-6H;2*5H,2-4H2,1H3;4-5H,1-3,6H2;1-4H;3-4H,1-2,5H2;3*4H,1-3H2;1-2,4H,3H2;1-3H;26*1-2H3.

What are the key properties of 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole?

1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole has a molecular weight of 2381.99 g/mol, XLogP of 46.45, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzothiophene;6H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;bis(5,6-dihydro-4H-cyclopenta[d][1,3]thiazole);5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;1-methylbenzimidazole;bis(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazole);1-methylindole;[1,3]oxazolo[4,5-b]pyridine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;thieno[3,2-d][1,3]oxazole is sourced from PubChem (CID 157095434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).