2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen

C82H105N13O4S8 — CID 157489800

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen (PubChem CID 157489800) has the molecular formula C82H105N13O4S8 and a molecular weight of 1593.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen
• PubChem CID: 157489800
• Molecular Formula: C82H105N13O4S8
• Molecular Weight: 1593.36 g/mol
• Exact Mass: 1591.62
• IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen
• SMILES: CCCN1CCCC(CNC(=O)CSc2nc3ccccc3s2)C1.O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1.O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1.O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2cccnc2)C1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H25N3OS2.C21H24N4OS2.C21H23N3OS2.C18H25N3OS2.4H2/c26-21(16-27-22-24-19-10-4-5-11-20(19)28-22)23-13-18-9-6-12-25(15-18)14-17-7-2-1-3-8-17;26-20(15-27-21-24-18-7-1-2-8-19(18)28-21)23-12-17-6-4-10-25(14-17)13-16-5-3-9-22-11-16;25-20(15-26-21-23-18-8-4-5-9-19(18)27-21)22-17-10-12-24(13-11-17)14-16-6-2-1-3-7-16;1-2-9-21-10-5-6-14(12-21)11-19-17(22)13-23-18-20-15-7-3-4-8-16(15)24-18;;;;/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,26);1-3,5,7-9,11,17H,4,6,10,12-15H2,(H,23,26);1-9,17H,10-15H2,(H,22,25);3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,22);4*1H
• InChIKey: BXDFDXJAMMWPAQ-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 193.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1593.36
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen?

The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen (CID 157489800) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen.

What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen?

The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen is CCCN1CCCC(CNC(=O)CSc2nc3ccccc3s2)C1.O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1.O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1.O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2cccnc2)C1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen?

The InChIKey is BXDFDXJAMMWPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS2.C21H24N4OS2.C21H23N3OS2.C18H25N3OS2.4H2/c26-21(16-27-22-24-19-10-4-5-11-20(19)28-22)23-13-18-9-6-12-25(15-18)14-17-7-2-1-3-8-17;26-20(15-27-21-24-18-7-1-2-8-19(18)28-21)23-12-17-6-4-10-25(14-17)13-16-5-3-9-22-11-16;25-20(15-26-21-23-18-8-4-5-9-19(18)27-21)22-17-10-12-24(13-11-17)14-16-6-2-1-3-7-16;1-2-9-21-10-5-6-14(12-21)11-19-17(22)13-23-18-20-15-7-3-4-8-16(15)24-18;;;;/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,26);1-3,5,7-9,11,17H,4,6,10,12-15H2,(H,23,26);1-9,17H,10-15H2,(H,22,25);3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,22);4*1H.

What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen?

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen has a molecular weight of 1593.36 g/mol, XLogP of 17.01, 27 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-4-yl)acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-benzylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-3-yl)methyl]acetamide;2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide;molecular hydrogen is sourced from PubChem (CID 157489800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).