2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide

C130H128N22O16S5 — CID 159076650

About 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide

2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide (PubChem CID 159076650) has the molecular formula C130H128N22O16S5 and a molecular weight of 2414.93 g/mol. Its IUPAC name is 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide
• PubChem CID: 159076650
• Molecular Formula: C130H128N22O16S5
• Molecular Weight: 2414.93 g/mol
• Exact Mass: 2412.85
• IUPAC Name: 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide
• SMILES: C/C=C/C(=O)N1CC2(C1)CN(c1nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)s1)C2.C=CC(=O)N1CC2(C1)CN(c1nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)s1)C2.CC#CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccc(Oc3ccccc3)cc2)c(C(N)=O)s1.CN(C)C/C=C/C(=O)N1CC2(C1)CN(c1nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)s1)C2.NC(=O)c1sc(N2CC3(CN(C(=O)/C=C/CN4CCOCC4)C3)C2)nc1-c1ccc(Oc2ccccc2)cc1
• InChI: InChI=1S/C29H31N5O4S.C27H29N5O3S.C25H24N4O3S.C25H22N4O3S.C24H22N4O3S/c30-27(36)26-25(21-8-10-23(11-9-21)38-22-5-2-1-3-6-22)31-28(39-26)34-19-29(20-34)17-33(18-29)24(35)7-4-12-32-13-15-37-16-14-32;1-30(2)14-6-9-22(33)31-15-27(16-31)17-32(18-27)26-29-23(24(36-26)25(28)34)19-10-12-21(13-11-19)35-20-7-4-3-5-8-20;1-2-6-20(30)28-13-25(14-28)15-29(16-25)24-27-21(22(33-24)23(26)31)17-9-11-19(12-10-17)32-18-7-4-3-5-8-18;1-2-6-21(30)28-14-18-13-17(28)15-29(18)25-27-22(23(33-25)24(26)31)16-9-11-20(12-10-16)32-19-7-4-3-5-8-19;1-2-19(29)27-12-24(13-27)14-28(15-24)23-26-20(21(32-23)22(25)30)16-8-10-18(11-9-16)31-17-6-4-3-5-7-17/h1-11H,12-20H2,(H2,30,36);3-13H,14-18H2,1-2H3,(H2,28,34);2-12H,13-16H2,1H3,(H2,26,31);3-5,7-12,17-18H,13-15H2,1H3,(H2,26,31);2-11H,1,12-15H2,(H2,25,30)/b7-4+;9-6+;6-2+;;/t;;;17-,18-;/m...0./s1
• InChIKey: KAIHLGZFLDVXGR-AEEDGCACSA-N
• XLogP: 17.68
• TPSA: 459.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2414.93
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide (CID 159076650) is 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide is C/C=C/C(=O)N1CC2(C1)CN(c1nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)s1)C2.C=CC(=O)N1CC2(C1)CN(c1nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)s1)C2.CC#CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccc(Oc3ccccc3)cc2)c(C(N)=O)s1.CN(C)C/C=C/C(=O)N1CC2(C1)CN(c1nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)s1)C2.NC(=O)c1sc(N2CC3(CN(C(=O)/C=C/CN4CCOCC4)C3)C2)nc1-c1ccc(Oc2ccccc2)cc1.

What is the InChIKey of 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide?

The InChIKey is KAIHLGZFLDVXGR-AEEDGCACSA-N. The full InChI is InChI=1S/C29H31N5O4S.C27H29N5O3S.C25H24N4O3S.C25H22N4O3S.C24H22N4O3S/c30-27(36)26-25(21-8-10-23(11-9-21)38-22-5-2-1-3-6-22)31-28(39-26)34-19-29(20-34)17-33(18-29)24(35)7-4-12-32-13-15-37-16-14-32;1-30(2)14-6-9-22(33)31-15-27(16-31)17-32(18-27)26-29-23(24(36-26)25(28)34)19-10-12-21(13-11-19)35-20-7-4-3-5-8-20;1-2-6-20(30)28-13-25(14-28)15-29(16-25)24-27-21(22(33-24)23(26)31)17-9-11-19(12-10-17)32-18-7-4-3-5-8-18;1-2-6-21(30)28-14-18-13-17(28)15-29(18)25-27-22(23(33-25)24(26)31)16-9-11-20(12-10-16)32-19-7-4-3-5-8-19;1-2-19(29)27-12-24(13-27)14-28(15-24)23-26-20(21(32-23)22(25)30)16-8-10-18(11-9-16)31-17-6-4-3-5-7-17/h1-11H,12-20H2,(H2,30,36);3-13H,14-18H2,1-2H3,(H2,28,34);2-12H,13-16H2,1H3,(H2,26,31);3-5,7-12,17-18H,13-15H2,1H3,(H2,26,31);2-11H,1,12-15H2,(H2,25,30)/b7-4+;9-6+;6-2+;;/t;;;17-,18-;/m...0./s1.

What are the key properties of 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide?

2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 2414.93 g/mol, XLogP of 17.68, 33 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(E)-but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[(1S,4S)-5-but-2-ynoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-[2-[(E)-4-morpholin-4-ylbut-2-enoyl]-2,6-diazaspiro[3.3]heptan-6-yl]-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;4-(4-phenoxyphenyl)-2-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159076650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).