N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole

C107H127N19O17S4 — CID 164961593

About N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole

N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole (PubChem CID 164961593) has the molecular formula C107H127N19O17S4 and a molecular weight of 2079.58 g/mol. Its IUPAC name is N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole
• PubChem CID: 164961593
• Molecular Formula: C107H127N19O17S4
• Molecular Weight: 2079.58 g/mol
• Exact Mass: 2077.85
• IUPAC Name: N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole
• SMILES: CC(C)(C)OC(=O)Nc1ncc(NC(=O)C(=O)O)cc1C1CC1.COC1C[C@@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cnc(CC(=O)OC(C)(C)C)c(C3CC3)c2)C[C@@H]1C.COC1C[C@@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C[C@@H]1C.COC1C[C@@H](c2ccc3scnc3c2)NC[C@@H]1C.CO[C@H]1C[C@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C[C@H]1C
• InChI: InChI=1S/C30H36N4O5S.2C24H27N5O3S.C15H19N3O5.C14H18N2OS/c1-17-15-34(24(13-25(17)38-5)19-8-9-26-23(10-19)32-16-40-26)29(37)28(36)33-20-11-21(18-6-7-18)22(31-14-20)12-27(35)39-30(2,3)4;2*1-13-11-29(19(9-20(13)32-2)15-5-6-21-18(7-15)27-12-33-21)24(31)23(30)28-16-8-17(14-3-4-14)22(25)26-10-16;1-15(2,3)23-14(22)18-11-10(8-4-5-8)6-9(7-16-11)17-12(19)13(20)21;1-9-7-15-11(6-13(9)17-2)10-3-4-14-12(5-10)16-8-18-14/h8-11,14,16-18,24-25H,6-7,12-13,15H2,1-5H3,(H,33,36);2*5-8,10,12-14,19-20H,3-4,9,11H2,1-2H3,(H2,25,26)(H,28,30);6-8H,4-5H2,1-3H3,(H,17,19)(H,20,21)(H,16,18,22);3-5,8-9,11,13,15H,6-7H2,1-2H3/t17-,24-,25?;13-,19-,20?;13-,19-,20+;;9-,11-,13?/m001.0/s1
• InChIKey: BXJZJWBTQGWXOH-XQGAMSDUSA-N
• XLogP: 17.76
• TPSA: 483.37 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2079.58
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The IUPAC name of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole (CID 164961593) is N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole.

What is the SMILES notation for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The canonical SMILES for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole is CC(C)(C)OC(=O)Nc1ncc(NC(=O)C(=O)O)cc1C1CC1.COC1C[C@@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cnc(CC(=O)OC(C)(C)C)c(C3CC3)c2)C[C@@H]1C.COC1C[C@@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C[C@@H]1C.COC1C[C@@H](c2ccc3scnc3c2)NC[C@@H]1C.CO[C@H]1C[C@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C[C@H]1C.

What is the InChIKey of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The InChIKey is BXJZJWBTQGWXOH-XQGAMSDUSA-N. The full InChI is InChI=1S/C30H36N4O5S.2C24H27N5O3S.C15H19N3O5.C14H18N2OS/c1-17-15-34(24(13-25(17)38-5)19-8-9-26-23(10-19)32-16-40-26)29(37)28(36)33-20-11-21(18-6-7-18)22(31-14-20)12-27(35)39-30(2,3)4;2*1-13-11-29(19(9-20(13)32-2)15-5-6-21-18(7-15)27-12-33-21)24(31)23(30)28-16-8-17(14-3-4-14)22(25)26-10-16;1-15(2,3)23-14(22)18-11-10(8-4-5-8)6-9(7-16-11)17-12(19)13(20)21;1-9-7-15-11(6-13(9)17-2)10-3-4-14-12(5-10)16-8-18-14/h8-11,14,16-18,24-25H,6-7,12-13,15H2,1-5H3,(H,33,36);2*5-8,10,12-14,19-20H,3-4,9,11H2,1-2H3,(H2,25,26)(H,28,30);6-8H,4-5H2,1-3H3,(H,17,19)(H,20,21)(H,16,18,22);3-5,8-9,11,13,15H,6-7H2,1-2H3/t17-,24-,25?;13-,19-,20?;13-,19-,20+;;9-,11-,13?/m001.0/s1.

What are the key properties of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole?

N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole has a molecular weight of 2079.58 g/mol, XLogP of 17.76, 19 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,4S,5R)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl 2-[5-[[2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-cyclopropyl-2-pyridinyl]acetate;2-[[5-cyclopropyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid;5-[(2S,5S)-4-methoxy-5-methylpiperidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 164961593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).