(2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole

C137H182N26O18S10 — CID 157205379

About (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole

(2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole (PubChem CID 157205379) has the molecular formula C137H182N26O18S10 and a molecular weight of 2801.80 g/mol. Its IUPAC name is (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole
• PubChem CID: 157205379
• Molecular Formula: C137H182N26O18S10
• Molecular Weight: 2801.80 g/mol
• Exact Mass: 2799.13
• IUPAC Name: (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole
• SMILES: CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CC(C)CO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C[C@@H](C)CO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C[C@H](C)CO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCC)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ncc(C5=CCN(S(=O)(=O)CCC)CC5)cc4s3)CC2)nc1
• InChI: InChI=1S/3C28H37N5O4S2.C27H37N5O3S2.C26H34N6O3S2/c3*1-3-4-21-16-29-27(30-17-21)32-11-9-24(10-12-32)37-28-31-25-6-5-23(15-26(25)38-28)22-7-13-33(14-8-22)39(35,36)19-20(2)18-34;1-3-5-20-18-28-26(29-19-20)31-12-10-23(11-13-31)35-27-30-24-7-6-22(17-25(24)36-27)21-8-14-32(15-9-21)37(33,34)16-4-2;1-3-5-19-16-28-25(29-17-19)31-10-8-22(9-11-31)35-26-30-24-23(36-26)15-21(18-27-24)20-6-12-32(13-7-20)37(33,34)14-4-2/h3*5-7,15-17,20,24,34H,3-4,8-14,18-19H2,1-2H3;6-7,17-19,21,23H,3-5,8-16H2,1-2H3;6,15-18,22H,3-5,7-14H2,1-2H3/t2*20-;;;/m10.../s1
• InChIKey: ARHGETFUNIQCNZ-VZNWRGHUSA-N
• XLogP: 21.72
• TPSA: 516.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 48
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2801.80
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole?

The IUPAC name of (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole (CID 157205379) is (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole.

What is the SMILES notation for (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole?

The canonical SMILES for (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole is CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CC(C)CO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C[C@@H](C)CO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)C[C@H](C)CO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5CCN(S(=O)(=O)CCC)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ncc(C5=CCN(S(=O)(=O)CCC)CC5)cc4s3)CC2)nc1.

What is the InChIKey of (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole?

The InChIKey is ARHGETFUNIQCNZ-VZNWRGHUSA-N. The full InChI is InChI=1S/3C28H37N5O4S2.C27H37N5O3S2.C26H34N6O3S2/c3*1-3-4-21-16-29-27(30-17-21)32-11-9-24(10-12-32)37-28-31-25-6-5-23(15-26(25)38-28)22-7-13-33(14-8-22)39(35,36)19-20(2)18-34;1-3-5-20-18-28-26(29-19-20)31-12-10-23(11-13-31)35-27-30-24-7-6-22(17-25(24)36-27)21-8-14-32(15-9-21)37(33,34)16-4-2;1-3-5-19-16-28-25(29-17-19)31-10-8-22(9-11-31)35-26-30-24-23(36-26)15-21(18-27-24)20-6-12-32(13-7-20)37(33,34)14-4-2/h3*5-7,15-17,20,24,34H,3-4,8-14,18-19H2,1-2H3;6-7,17-19,21,23H,3-5,8-16H2,1-2H3;6,15-18,22H,3-5,7-14H2,1-2H3/t2*20-;;;/m10.../s1.

What are the key properties of (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole?

(2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole has a molecular weight of 2801.80 g/mol, XLogP of 21.72, 48 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;(2R)-2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 157205379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).