1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

C63H64N8O11S2 — CID 159223452

About 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 159223452) has the molecular formula C63H64N8O11S2 and a molecular weight of 1173.38 g/mol. Its IUPAC name is 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
• PubChem CID: 159223452
• Molecular Formula: C63H64N8O11S2
• Molecular Weight: 1173.38 g/mol
• Exact Mass: 1172.41
• IUPAC Name: 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn(C)cn2)n1.Cc1nc(C(=O)O)cn1C
• InChI: InChI=1S/C31H30N4O5S.C26H26N2O4S.C6H8N2O2/c1-3-39-31(38)26-17-41-29(33-26)27-12-19(14-35(27)30(37)25-15-34(2)18-32-25)13-28(36)40-16-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24;1-2-31-26(30)23-15-33-25(28-23)22-11-16(13-27-22)12-24(29)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;1-4-7-5(6(9)10)3-8(4)2/h4-11,15,17-19,24,27H,3,12-14,16H2,1-2H3;3-10,15-16,21-22,27H,2,11-14H2,1H3;3H,1-2H3,(H,9,10)/t19-,27-;16-,22-;/m00./s1
• InChIKey: KRZHSEKAYNKKJK-BQTVHMCHSA-N
• XLogP: 10.15
• TPSA: 236.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.38
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?

The IUPAC name of 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (CID 159223452) is 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn(C)cn2)n1.Cc1nc(C(=O)O)cn1C.

What is the InChIKey of 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?

The InChIKey is KRZHSEKAYNKKJK-BQTVHMCHSA-N. The full InChI is InChI=1S/C31H30N4O5S.C26H26N2O4S.C6H8N2O2/c1-3-39-31(38)26-17-41-29(33-26)27-12-19(14-35(27)30(37)25-15-34(2)18-32-25)13-28(36)40-16-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24;1-2-31-26(30)23-15-33-25(28-23)22-11-16(13-27-22)12-24(29)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;1-4-7-5(6(9)10)3-8(4)2/h4-11,15,17-19,24,27H,3,12-14,16H2,1-2H3;3-10,15-16,21-22,27H,2,11-14H2,1H3;3H,1-2H3,(H,9,10)/t19-,27-;16-,22-;/m00./s1.

What are the key properties of 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?

1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 1173.38 g/mol, XLogP of 10.15, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 159223452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).