1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole

C130H225N9O4S6 — CID 157473054

About 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole

1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole (PubChem CID 157473054) has the molecular formula C130H225N9O4S6 and a molecular weight of 2170.69 g/mol. Its IUPAC name is 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole.

Molecular Properties

• Compound Name: 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole
• PubChem CID: 157473054
• Molecular Formula: C130H225N9O4S6
• Molecular Weight: 2170.69 g/mol
• Exact Mass: 2168.60
• IUPAC Name: 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c([nH]1)CCC2.c1cc2c(o1)CCC2.c1cc2c(s1)CCC2.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)CCC2.c1nc2c(s1)SCC2
• InChI: InChI=1S/C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C7H9N.C7H8O.C7H8S.C6H8N2.C6H7NO.C6H7NS.C5H5NS2.24C2H6/c3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;3*1-2-6-4-5-8-7(6)3-1;3*1-2-5-6(3-1)8-4-7-5;1-2-7-5-4(1)6-3-8-5;24*1-2/h1-6,9H;2*1-6H;2*1-5H;4-5,8H,1-3H2;2*4-5H,1-3H2;4H,1-3H2,(H,7,8);2*4H,1-3H2;3H,1-2H2;24*1-2H3
• InChIKey: BVGOVFHIYCVBAX-UHFFFAOYSA-N
• XLogP: 47.25
• TPSA: 177.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.69
LogP ≤ 5	47.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?

The IUPAC name of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole (CID 157473054) is 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole.

What is the SMILES notation for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?

The canonical SMILES for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c([nH]1)CCC2.c1cc2c(o1)CCC2.c1cc2c(s1)CCC2.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)CCC2.c1nc2c(s1)SCC2.

What is the InChIKey of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?

The InChIKey is BVGOVFHIYCVBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C7H9N.C7H8O.C7H8S.C6H8N2.C6H7NO.C6H7NS.C5H5NS2.24C2H6/c3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;3*1-2-6-4-5-8-7(6)3-1;3*1-2-5-6(3-1)8-4-7-5;1-2-7-5-4(1)6-3-8-5;24*1-2/h1-6,9H;2*1-6H;2*1-5H;4-5,8H,1-3H2;2*4-5H,1-3H2;4H,1-3H2,(H,7,8);2*4H,1-3H2;3H,1-2H2;24*1-2H3.

What are the key properties of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?

1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole has a molecular weight of 2170.69 g/mol, XLogP of 47.25, 0 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydrothieno[3,2-d][1,3]thiazole;ethane;1H-indole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole is sourced from PubChem (CID 157473054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).