8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C106H105F2N25O10S5 — CID 157123270

About 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 157123270) has the molecular formula C106H105F2N25O10S5 and a molecular weight of 2087.50 g/mol. Its IUPAC name is 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 157123270
• Molecular Formula: C106H105F2N25O10S5
• Molecular Weight: 2087.50 g/mol
• Exact Mass: 2085.70
• IUPAC Name: 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)C2=O.C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(c1cncnc1)C2=O.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)C2=O.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(c1cncnc1)C2=O.Cc1ccc(N2C(=O)NC3(CCN([C@@H](C)c4ccc5scnc5c4)CC3)C2=O)cn1
• InChI: InChI=1S/2C22H21FN4O2S.C22H23N5O2S.2C20H20N6O2S/c2*1-14(15-2-7-19-18(12-15)24-13-30-19)26-10-8-22(9-11-26)20(28)27(21(29)25-22)17-5-3-16(23)4-6-17;1-14-3-5-17(12-23-14)27-20(28)22(25-21(27)29)7-9-26(10-8-22)15(2)16-4-6-19-18(11-16)24-13-30-19;2*1-13(14-2-3-17-16(8-14)23-12-29-17)25-6-4-20(5-7-25)18(27)26(19(28)24-20)15-9-21-11-22-10-15/h2*2-7,12-14H,8-11H2,1H3,(H,25,29);3-6,11-13,15H,7-10H2,1-2H3,(H,25,29);2*2-3,8-13H,4-7H2,1H3,(H,24,28)/t2*14-;15-;2*13-/m10010/s1
• InChIKey: AIFMEMMZCSJMTP-QFBLQPCJSA-N
• XLogP: 17.30
• TPSA: 392.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2087.50
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 157123270) is 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)C2=O.C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(c1cncnc1)C2=O.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)C2=O.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(c1cncnc1)C2=O.Cc1ccc(N2C(=O)NC3(CCN([C@@H](C)c4ccc5scnc5c4)CC3)C2=O)cn1.

What is the InChIKey of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is AIFMEMMZCSJMTP-QFBLQPCJSA-N. The full InChI is InChI=1S/2C22H21FN4O2S.C22H23N5O2S.2C20H20N6O2S/c2*1-14(15-2-7-19-18(12-15)24-13-30-19)26-10-8-22(9-11-26)20(28)27(21(29)25-22)17-5-3-16(23)4-6-17;1-14-3-5-17(12-23-14)27-20(28)22(25-21(27)29)7-9-26(10-8-22)15(2)16-4-6-19-18(11-16)24-13-30-19;2*1-13(14-2-3-17-16(8-14)23-12-29-17)25-6-4-20(5-7-25)18(27)26(19(28)24-20)15-9-21-11-22-10-15/h2*2-7,12-14H,8-11H2,1H3,(H,25,29);3-6,11-13,15H,7-10H2,1-2H3,(H,25,29);2*2-3,8-13H,4-7H2,1H3,(H,24,28)/t2*14-;15-;2*13-/m10010/s1.

What are the key properties of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 2087.50 g/mol, XLogP of 17.30, 15 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 157123270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).