2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide

C141H141N25O15S6 — CID 162034921

About 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide

2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 162034921) has the molecular formula C141H141N25O15S6 and a molecular weight of 2618.24 g/mol. Its IUPAC name is 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
• PubChem CID: 162034921
• Molecular Formula: C141H141N25O15S6
• Molecular Weight: 2618.24 g/mol
• Exact Mass: 2615.94
• IUPAC Name: 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
• SMILES: CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2[nH]c(=O)sc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]c(=O)sc12.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2[nH]c(=O)sc2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2oc(=O)[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2[nH]c(=O)sc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]c(=O)sc2c1.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CC(=O)S2
• InChI: InChI=1S/C21H19N3O2S.C20H22N4O3.2C20H22N4O2S.C20H18N4O2S.2C20H19N3O2S/c22-20(25)11-18-17(9-14-5-2-1-3-6-14)23-13-24(18)12-15-7-4-8-19-16(15)10-21(26)27-19;21-19(25)9-7-16-13-23(14-4-2-1-3-5-14)10-11-24(16)15-6-8-18-17(12-15)22-20(26)27-18;21-18(25)10-9-15-13-23(14-5-2-1-3-6-14)11-12-24(15)17-8-4-7-16-19(17)27-20(26)22-16;21-19(25)9-7-16-13-23(14-4-2-1-3-5-14)10-11-24(16)15-6-8-17-18(12-15)27-20(26)22-17;21-19(25)10-17-16(8-13-4-2-1-3-5-13)22-12-24(17)11-14-6-7-15-18(9-14)27-20(26)23-15;1-13(24)10-17-18(14-6-3-2-4-7-14)21-12-23(17)11-15-8-5-9-16-19(15)26-20(25)22-16;1-13(24)9-17-19(15-5-3-2-4-6-15)21-12-23(17)11-14-7-8-16-18(10-14)26-20(25)22-16/h1-8,13H,9-12H2,(H2,22,25);1-6,8,12,16H,7,9-11,13H2,(H2,21,25)(H,22,26);1-8,15H,9-13H2,(H2,21,25)(H,22,26);1-6,8,12,16H,7,9-11,13H2,(H2,21,25)(H,22,26);1-7,9,12H,8,10-11H2,(H2,21,25)(H,23,26);2-9,12-13,24H,10-11H2,1H3,(H,22,25);2-8,10,12-13,24H,9,11H2,1H3,(H,22,25)
• InChIKey: YWNGHCVKQXPHGG-UHFFFAOYSA-N
• XLogP: 19.21
• TPSA: 574.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2618.24
LogP ≤ 5	19.21
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?

The IUPAC name of 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide (CID 162034921) is 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide.

What is the SMILES notation for 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?

The canonical SMILES for 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide is CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2[nH]c(=O)sc2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]c(=O)sc12.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2[nH]c(=O)sc2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2oc(=O)[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2[nH]c(=O)sc12.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]c(=O)sc2c1.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cccc2c1CC(=O)S2.

What is the InChIKey of 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?

The InChIKey is YWNGHCVKQXPHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S.C20H22N4O3.2C20H22N4O2S.C20H18N4O2S.2C20H19N3O2S/c22-20(25)11-18-17(9-14-5-2-1-3-6-14)23-13-24(18)12-15-7-4-8-19-16(15)10-21(26)27-19;21-19(25)9-7-16-13-23(14-4-2-1-3-5-14)10-11-24(16)15-6-8-18-17(12-15)22-20(26)27-18;21-18(25)10-9-15-13-23(14-5-2-1-3-6-14)11-12-24(15)17-8-4-7-16-19(17)27-20(26)22-16;21-19(25)9-7-16-13-23(14-4-2-1-3-5-14)10-11-24(16)15-6-8-17-18(12-15)27-20(26)22-17;21-19(25)10-17-16(8-13-4-2-1-3-5-13)22-12-24(17)11-14-6-7-15-18(9-14)27-20(26)23-15;1-13(24)10-17-18(14-6-3-2-4-7-14)21-12-23(17)11-15-8-5-9-16-19(15)26-20(25)22-16;1-13(24)9-17-19(15-5-3-2-4-6-15)21-12-23(17)11-14-7-8-16-18(10-14)26-20(25)22-16/h1-8,13H,9-12H2,(H2,22,25);1-6,8,12,16H,7,9-11,13H2,(H2,21,25)(H,22,26);1-8,15H,9-13H2,(H2,21,25)(H,22,26);1-6,8,12,16H,7,9-11,13H2,(H2,21,25)(H,22,26);1-7,9,12H,8,10-11H2,(H2,21,25)(H,23,26);2-9,12-13,24H,10-11H2,1H3,(H,22,25);2-8,10,12-13,24H,9,11H2,1H3,(H,22,25).

What are the key properties of 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?

2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 2618.24 g/mol, XLogP of 19.21, 37 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-3H-1-benzothiophen-4-yl)methyl]imidazol-4-yl]acetamide;6-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;7-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one;3-[1-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzothiazol-7-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 162034921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).