1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone

C93H83F8N11O6S4 — CID 123300180

About 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone

1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone (PubChem CID 123300180) has the molecular formula C93H83F8N11O6S4 and a molecular weight of 1731.01 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone.

Molecular Properties

• Compound Name: 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone
• PubChem CID: 123300180
• Molecular Formula: C93H83F8N11O6S4
• Molecular Weight: 1731.01 g/mol
• Exact Mass: 1729.53
• IUPAC Name: 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone
• SMILES: CCCCCC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12.O=C(CC1CCNCC1)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12.O=C(Cc1cccnc1)N1N=C(c2cc(F)ccc2F)SC12CCCc1ccccc12.O=C(Cc1ccncc1)N1N=C(c2cc(F)ccc2F)SC12CCCc1ccccc12
• InChI: InChI=1S/2C24H19F2N3OS.C23H23F2N3O2S.C22H22F2N2O2S/c25-18-9-10-21(26)19(14-18)23-28-29(22(30)13-16-5-4-12-27-15-16)24(31-23)11-3-7-17-6-1-2-8-20(17)24;25-18-7-8-21(26)19(15-18)23-28-29(22(30)14-16-9-12-27-13-10-16)24(31-23)11-3-5-17-4-1-2-6-20(17)24;24-16-5-6-19(25)17(14-16)22-27-28(21(29)13-15-7-10-26-11-8-15)23(31-22)9-12-30-20-4-2-1-3-18(20)23;1-2-3-4-9-20(27)26-22(12-13-28-19-8-6-5-7-17(19)22)29-21(25-26)16-14-15(23)10-11-18(16)24/h1-2,4-6,8-10,12,14-15H,3,7,11,13H2;1-2,4,6-10,12-13,15H,3,5,11,14H2;1-6,14-15,26H,7-13H2;5-8,10-11,14H,2-4,9,12-13H2,1H3
• InChIKey: BFIYOUWATZFJGZ-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 186.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1731.01
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone?

The IUPAC name of 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone (CID 123300180) is 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone.

What is the SMILES notation for 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone?

The canonical SMILES for 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone is CCCCCC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12.O=C(CC1CCNCC1)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12.O=C(Cc1cccnc1)N1N=C(c2cc(F)ccc2F)SC12CCCc1ccccc12.O=C(Cc1ccncc1)N1N=C(c2cc(F)ccc2F)SC12CCCc1ccccc12.

What is the InChIKey of 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone?

The InChIKey is BFIYOUWATZFJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19F2N3OS.C23H23F2N3O2S.C22H22F2N2O2S/c25-18-9-10-21(26)19(14-18)23-28-29(22(30)13-16-5-4-12-27-15-16)24(31-23)11-3-7-17-6-1-2-8-20(17)24;25-18-7-8-21(26)19(15-18)23-28-29(22(30)14-16-9-12-27-13-10-16)24(31-23)11-3-5-17-4-1-2-6-20(17)24;24-16-5-6-19(25)17(14-16)22-27-28(21(29)13-15-7-10-26-11-8-15)23(31-22)9-12-30-20-4-2-1-3-18(20)23;1-2-3-4-9-20(27)26-22(12-13-28-19-8-6-5-7-17(19)22)29-21(25-26)16-14-15(23)10-11-18(16)24/h1-2,4-6,8-10,12,14-15H,3,7,11,13H2;1-2,4,6-10,12-13,15H,3,5,11,14H2;1-6,14-15,26H,7-13H2;5-8,10-11,14H,2-4,9,12-13H2,1H3.

What are the key properties of 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone?

1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone has a molecular weight of 1731.01 g/mol, XLogP of 19.70, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]hexan-1-one;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-piperidin-4-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone;1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 123300180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).