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

C76H86N18O10S2 — CID 162064233

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

8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 162064233) has the molecular formula C76H86N18O10S2 and a molecular weight of 1475.77 g/mol. Its IUPAC name is 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 162064233
• Molecular Formula: C76H86N18O10S2
• Molecular Weight: 1475.77 g/mol
• Exact Mass: 1474.62
• IUPAC Name: 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: C[C@@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(Cc1cncnc1)C2=O.C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)NC2=O.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(Cc1cncnc1)C2=O.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)NC2=O
• InChI: InChI=1S/2C22H25N5O3.2C16H18N4O2S/c2*1-15(18-3-2-17-4-9-30-19(17)10-18)26-7-5-22(6-8-26)20(28)27(21(29)25-22)13-16-11-23-14-24-12-16;2*1-10(11-2-3-13-12(8-11)17-9-23-13)20-6-4-16(5-7-20)14(21)18-15(22)19-16/h2*2-3,10-12,14-15H,4-9,13H2,1H3,(H,25,29);2*2-3,8-10H,4-7H2,1H3,(H2,18,19,21,22)/t2*15-;2*10-/m1010/s1
• InChIKey: ZAFZCAMAYLDHQR-RDCNAZMJSA-N
• XLogP: 8.18
• TPSA: 323.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1475.77
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

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]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 162064233) is 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-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]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(Cc1cncnc1)C2=O.C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)NC2=O.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(Cc1cncnc1)C2=O.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)NC2=O.

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

The InChIKey is ZAFZCAMAYLDHQR-RDCNAZMJSA-N. The full InChI is InChI=1S/2C22H25N5O3.2C16H18N4O2S/c2*1-15(18-3-2-17-4-9-30-19(17)10-18)26-7-5-22(6-8-26)20(28)27(21(29)25-22)13-16-11-23-14-24-12-16;2*1-10(11-2-3-13-12(8-11)17-9-23-13)20-6-4-16(5-7-20)14(21)18-15(22)19-16/h2*2-3,10-12,14-15H,4-9,13H2,1H3,(H,25,29);2*2-3,8-10H,4-7H2,1H3,(H2,18,19,21,22)/t2*15-;2*10-/m1010/s1.

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

8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 1475.77 g/mol, XLogP of 8.18, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 162064233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).