N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone

C135H176N28O19S9 — CID 159245879

About N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone

N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone (PubChem CID 159245879) has the molecular formula C135H176N28O19S9 and a molecular weight of 2783.67 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone
• PubChem CID: 159245879
• Molecular Formula: C135H176N28O19S9
• Molecular Weight: 2783.67 g/mol
• Exact Mass: 2781.12
• IUPAC Name: N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone
• SMILES: CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCC(=O)NCC(C)(C)O)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(N5CCC(C(=O)N6CCOCC6)CC5)cc4s3)CC2)nc1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)cn1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)N(C)C)CC5)cc4s3)CC2)nc1.Cc1cnc(N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)nc1
• InChI: InChI=1S/C32H44N6O5S2.C29H38N6O3S.C25H31N5O4S2.C25H33N5O4S2.C24H30N6O3S2/c1-4-6-23-20-33-30(34-21-23)37-14-12-26(13-15-37)43-31-36-27-9-8-25(19-28(27)44-31)24-10-16-38(17-11-24)45(41,42)18-5-7-29(39)35-22-32(2,3)40;1-2-3-21-19-30-28(31-20-21)35-12-8-24(9-13-35)38-29-32-25-5-4-23(18-26(25)39-29)33-10-6-22(7-11-33)27(36)34-14-16-37-17-15-34;1-18-16-27-24(17-26-18)29-9-7-21(8-10-29)34-25-28-22-4-3-20(15-23(22)35-25)19-5-11-30(12-6-19)36(32,33)14-2-13-31;1-18-16-26-24(27-17-18)29-9-7-21(8-10-29)34-25-28-22-4-3-20(15-23(22)35-25)19-5-11-30(12-6-19)36(32,33)14-2-13-31;1-17-15-25-23(26-16-17)29-10-8-20(9-11-29)33-24-27-21-5-4-19(14-22(21)34-24)18-6-12-30(13-7-18)35(31,32)28(2)3/h8-10,19-21,26,40H,4-7,11-18,22H2,1-3H3,(H,35,39);4-5,18-20,22,24H,2-3,6-17H2,1H3;3-5,15-17,21,31H,2,6-14H2,1H3;3-4,15-17,19,21,31H,2,5-14H2,1H3;4-6,14-16,20H,7-13H2,1-3H3
• InChIKey: KURGFNRKXVNHNM-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 531.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 42
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.67
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone?

The IUPAC name of N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone (CID 159245879) is N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone.

What is the SMILES notation for N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone?

The canonical SMILES for N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone is CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCC(=O)NCC(C)(C)O)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(N5CCC(C(=O)N6CCOCC6)CC5)cc4s3)CC2)nc1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)cn1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)N(C)C)CC5)cc4s3)CC2)nc1.Cc1cnc(N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)nc1.

What is the InChIKey of N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone?

The InChIKey is KURGFNRKXVNHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N6O5S2.C29H38N6O3S.C25H31N5O4S2.C25H33N5O4S2.C24H30N6O3S2/c1-4-6-23-20-33-30(34-21-23)37-14-12-26(13-15-37)43-31-36-27-9-8-25(19-28(27)44-31)24-10-16-38(17-11-24)45(41,42)18-5-7-29(39)35-22-32(2,3)40;1-2-3-21-19-30-28(31-20-21)35-12-8-24(9-13-35)38-29-32-25-5-4-23(18-26(25)39-29)33-10-6-22(7-11-33)27(36)34-14-16-37-17-15-34;1-18-16-27-24(17-26-18)29-9-7-21(8-10-29)34-25-28-22-4-3-20(15-23(22)35-25)19-5-11-30(12-6-19)36(32,33)14-2-13-31;1-18-16-26-24(27-17-18)29-9-7-21(8-10-29)34-25-28-22-4-3-20(15-23(22)35-25)19-5-11-30(12-6-19)36(32,33)14-2-13-31;1-17-15-25-23(26-16-17)29-10-8-20(9-11-29)33-24-27-21-5-4-19(14-22(21)34-24)18-6-12-30(13-7-18)35(31,32)28(2)3/h8-10,19-21,26,40H,4-7,11-18,22H2,1-3H3,(H,35,39);4-5,18-20,22,24H,2-3,6-17H2,1H3;3-5,15-17,21,31H,2,6-14H2,1H3;3-4,15-17,19,21,31H,2,5-14H2,1H3;4-6,14-16,20H,7-13H2,1-3H3.

What are the key properties of N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone?

N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone has a molecular weight of 2783.67 g/mol, XLogP of 18.25, 42 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide;N-(2-hydroxy-2-methylpropyl)-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;3-[[4-[2-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol;morpholin-4-yl-[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 159245879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).