tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone

C158H198Cl4N18O26S4 — CID 157247266

About tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone

tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone (PubChem CID 157247266) has the molecular formula C158H198Cl4N18O26S4 and a molecular weight of 3035.50 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
• PubChem CID: 157247266
• Molecular Formula: C158H198Cl4N18O26S4
• Molecular Weight: 3035.50 g/mol
• Exact Mass: 3031.24
• IUPAC Name: tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
• SMILES: CC(C)(C)OC(=O)CCCOCCOCCNC(=O)c1ccc2nc(Cl)sc2c1.CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.CC(C)(C)OC(=O)NCCOCCOCCN.CCc1nc(Cl)sc1C(=O)CCCOCCOCCNC(=O)OC(C)(C)C.CCc1nc(Cl)sc1C(=O)O.O=C(O)c1ccc(C2=Nc3ccccc3C2)cc1.O=C(O)c1ccc2c(c1)CC(c1ccccc1)=N2.O=C(O)c1ccc2nc(Cl)sc2c1.O=C(c1ccc(C2=Nc3ccccc3C2)cc1)N1CCC(C2CCNCC2)CC1.O=C(c1ccc2c(c1)CC(c1ccccc1)=N2)N1CCC(C2CCNCC2)CC1
• InChI: InChI=1S/2C25H29N3O.C20H27ClN2O5S.C18H29ClN2O5S.C15H28N2O2.2C15H11NO2.C11H24N2O4.C8H4ClNO2S.C6H6ClNO2S/c29-25(28-15-11-19(12-16-28)18-9-13-26-14-10-18)21-7-5-20(6-8-21)24-17-22-3-1-2-4-23(22)27-24;29-25(28-14-10-19(11-15-28)18-8-12-26-13-9-18)21-6-7-23-22(16-21)17-24(27-23)20-4-2-1-3-5-20;1-20(2,3)28-17(24)5-4-9-26-11-12-27-10-8-22-18(25)14-6-7-15-16(13-14)29-19(21)23-15;1-5-13-15(27-16(19)21-13)14(22)7-6-9-24-11-12-25-10-8-20-17(23)26-18(2,3)4;1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;17-15(18)11-7-5-10(6-8-11)14-9-12-3-1-2-4-13(12)16-14;17-15(18)11-6-7-13-12(8-11)9-14(16-13)10-4-2-1-3-5-10;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12;9-8-10-5-2-1-4(7(11)12)3-6(5)13-8;1-2-3-4(5(9)10)11-6(7)8-3/h1-8,18-19,26H,9-17H2;1-7,16,18-19,26H,8-15,17H2;6-7,13H,4-5,8-12H2,1-3H3,(H,22,25);5-12H2,1-4H3,(H,20,23);12-13,16H,4-11H2,1-3H3;2*1-8H,9H2,(H,17,18);4-9,12H2,1-3H3,(H,13,14);1-3H,(H,11,12);2H2,1H3,(H,9,10)
• InChIKey: AVXTULICLMRTEY-UHFFFAOYSA-N
• XLogP: 30.11
• TPSA: 586.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 45
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3035.50
LogP ≤ 5	30.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone?

The IUPAC name of tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone (CID 157247266) is tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone.

What is the SMILES notation for tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone?

The canonical SMILES for tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone is CC(C)(C)OC(=O)CCCOCCOCCNC(=O)c1ccc2nc(Cl)sc2c1.CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.CC(C)(C)OC(=O)NCCOCCOCCN.CCc1nc(Cl)sc1C(=O)CCCOCCOCCNC(=O)OC(C)(C)C.CCc1nc(Cl)sc1C(=O)O.O=C(O)c1ccc(C2=Nc3ccccc3C2)cc1.O=C(O)c1ccc2c(c1)CC(c1ccccc1)=N2.O=C(O)c1ccc2nc(Cl)sc2c1.O=C(c1ccc(C2=Nc3ccccc3C2)cc1)N1CCC(C2CCNCC2)CC1.O=C(c1ccc2c(c1)CC(c1ccccc1)=N2)N1CCC(C2CCNCC2)CC1.

What is the InChIKey of tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone?

The InChIKey is AVXTULICLMRTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29N3O.C20H27ClN2O5S.C18H29ClN2O5S.C15H28N2O2.2C15H11NO2.C11H24N2O4.C8H4ClNO2S.C6H6ClNO2S/c29-25(28-15-11-19(12-16-28)18-9-13-26-14-10-18)21-7-5-20(6-8-21)24-17-22-3-1-2-4-23(22)27-24;29-25(28-14-10-19(11-15-28)18-8-12-26-13-9-18)21-6-7-23-22(16-21)17-24(27-23)20-4-2-1-3-5-20;1-20(2,3)28-17(24)5-4-9-26-11-12-27-10-8-22-18(25)14-6-7-15-16(13-14)29-19(21)23-15;1-5-13-15(27-16(19)21-13)14(22)7-6-9-24-11-12-25-10-8-20-17(23)26-18(2,3)4;1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;17-15(18)11-7-5-10(6-8-11)14-9-12-3-1-2-4-13(12)16-14;17-15(18)11-6-7-13-12(8-11)9-14(16-13)10-4-2-1-3-5-10;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12;9-8-10-5-2-1-4(7(11)12)3-6(5)13-8;1-2-3-4(5(9)10)11-6(7)8-3/h1-8,18-19,26H,9-17H2;1-7,16,18-19,26H,8-15,17H2;6-7,13H,4-5,8-12H2,1-3H3,(H,22,25);5-12H2,1-4H3,(H,20,23);12-13,16H,4-11H2,1-3H3;2*1-8H,9H2,(H,17,18);4-9,12H2,1-3H3,(H,13,14);1-3H,(H,11,12);2H2,1H3,(H,9,10).

What are the key properties of tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone?

tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 3035.50 g/mol, XLogP of 30.11, 45 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl 4-[2-[2-[(2-chloro-1,3-benzothiazole-6-carbonyl)amino]ethoxy]ethoxy]butanoate;tert-butyl N-[2-[2-[4-(2-chloro-4-ethyl-1,3-thiazol-5-yl)-4-oxobutoxy]ethoxy]ethyl]carbamate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2-chloro-1,3-benzothiazole-6-carboxylic acid;2-chloro-4-ethyl-1,3-thiazole-5-carboxylic acid;4-(3H-indol-2-yl)benzoic acid;[4-(3H-indol-2-yl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone;2-phenyl-3H-indole-5-carboxylic acid;(2-phenyl-3H-indol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 157247266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).