3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide

C109H136N20O27S5 — CID 160604971

About 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide

3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide (PubChem CID 160604971) has the molecular formula C109H136N20O27S5 and a molecular weight of 2318.73 g/mol. Its IUPAC name is 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide.

Molecular Properties

• Compound Name: 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide
• PubChem CID: 160604971
• Molecular Formula: C109H136N20O27S5
• Molecular Weight: 2318.73 g/mol
• Exact Mass: 2316.85
• IUPAC Name: 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide
• SMILES: CCOC(=O)C1=C(Nc2cccc(C(=O)N(C)C)c2O)/C(=N/[C@H](CC)c2ccc(C)o2)NS1(=O)=O.CC[C@@H](/N=C1\NS(=O)(=O)C=C1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](/N=C1\NS(=O)(=O)C=C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1.Cc1cc([C@H](/N=C2\NS(=O)(=O)C=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)oc1C.Cc1ccc([C@H](/N=C2\NS(=O)(=O)C=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1
• InChI: InChI=1S/C23H28N4O7S.3C22H28N4O5S.C20H24N4O5S/c1-6-15(17-12-11-13(3)34-17)25-21-18(20(23(30)33-7-2)35(31,32)26-21)24-16-10-8-9-14(19(16)28)22(29)27(4)5;1-12(2)19(18-10-13(3)14(4)31-18)24-21-17(11-32(29,30)25-21)23-16-9-7-8-15(20(16)27)22(28)26(5)6;1-13-10-11-17(31-13)19(22(2,3)4)24-20-16(12-32(29,30)25-20)23-15-9-7-8-14(18(15)27)21(28)26(5)6;1-6-16(19-10-14(11-31-19)13(2)3)24-21-18(12-32(29,30)25-21)23-17-9-7-8-15(20(17)27)22(28)26(4)5;1-5-14(17-10-9-12(2)29-17)22-19-16(11-30(27,28)23-19)21-15-8-6-7-13(18(15)25)20(26)24(3)4/h8-12,15,24,28H,6-7H2,1-5H3,(H,25,26);2*7-12,19,23,27H,1-6H3,(H,24,25);7-13,16,23,27H,6H2,1-5H3,(H,24,25);6-11,14,21,25H,5H2,1-4H3,(H,22,23)/t15-;2*19-;16-;14-/m11011/s1
• InChIKey: RETIDGDHUOLIQJ-FOUCRBRSSA-N
• XLogP: 15.60
• TPSA: 647.50 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2318.73
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide?

The IUPAC name of 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide (CID 160604971) is 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide.

What is the SMILES notation for 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide?

The canonical SMILES for 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide is CCOC(=O)C1=C(Nc2cccc(C(=O)N(C)C)c2O)/C(=N/[C@H](CC)c2ccc(C)o2)NS1(=O)=O.CC[C@@H](/N=C1\NS(=O)(=O)C=C1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](/N=C1\NS(=O)(=O)C=C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1.Cc1cc([C@H](/N=C2\NS(=O)(=O)C=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)oc1C.Cc1ccc([C@H](/N=C2\NS(=O)(=O)C=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1.

What is the InChIKey of 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide?

The InChIKey is RETIDGDHUOLIQJ-FOUCRBRSSA-N. The full InChI is InChI=1S/C23H28N4O7S.3C22H28N4O5S.C20H24N4O5S/c1-6-15(17-12-11-13(3)34-17)25-21-18(20(23(30)33-7-2)35(31,32)26-21)24-16-10-8-9-14(19(16)28)22(29)27(4)5;1-12(2)19(18-10-13(3)14(4)31-18)24-21-17(11-32(29,30)25-21)23-16-9-7-8-15(20(16)27)22(28)26(5)6;1-13-10-11-17(31-13)19(22(2,3)4)24-20-16(12-32(29,30)25-20)23-15-9-7-8-14(18(15)27)21(28)26(5)6;1-6-16(19-10-14(11-31-19)13(2)3)24-21-18(12-32(29,30)25-21)23-17-9-7-8-15(20(17)27)22(28)26(4)5;1-5-14(17-10-9-12(2)29-17)22-19-16(11-30(27,28)23-19)21-15-8-6-7-13(18(15)25)20(26)24(3)4/h8-12,15,24,28H,6-7H2,1-5H3,(H,25,26);2*7-12,19,23,27H,1-6H3,(H,24,25);7-13,16,23,27H,6H2,1-5H3,(H,24,25);6-11,14,21,25H,5H2,1-4H3,(H,22,23)/t15-;2*19-;16-;14-/m11011/s1.

What are the key properties of 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide?

3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide has a molecular weight of 2318.73 g/mol, XLogP of 15.60, 32 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1,1-dioxo-3-[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]imino-1,2-thiazol-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;ethyl 4-[3-(dimethylcarbamoyl)-2-hydroxyanilino]-3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazole-5-carboxylate;2-hydroxy-N,N-dimethyl-3-[[3-[(1R)-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2-thiazol-4-yl]amino]benzamide is sourced from PubChem (CID 160604971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).