6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole

C138H166N22O10S13 — CID 165056321

IUPAC6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole
SMILESCSc1cnc(C[C@H]2CC[C@H](Cc3ccc(C)cn3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5CCC6(CCC6)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5C[C@@H](O)[C@@H](C)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5C[C@H](C)[C@@H](O)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(S(=O)(=O)N5CCOCC5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(S(C)(=O)=O)cc4s3)C2)nc1
InChIInChI=1S/C27H32N4OS2.2C25H30N4O2S2.C23H28N4O3S3.C20H23N3O2S3.C18H23N3S/c1-33-21-15-28-24(29-16-21)12-18-3-4-19(11-18)13-25-30-22-6-5-20(14-23(22)34-25)26(32)31-10-9-27(17-31)7-2-8-27;2*1-15-13-29(14-21(15)30)25(31)18-5-6-20-22(10-18)33-24(28-20)9-17-4-3-16(7-17)8-23-26-11-19(32-2)12-27-23;1-31-18-14-24-22(25-15-18)11-16-2-3-17(10-16)12-23-26-20-5-4-19(13-21(20)32-23)33(28,29)27-6-8-30-9-7-27;1-26-15-11-21-19(22-12-15)8-13-3-4-14(7-13)9-20-23-17-6-5-16(28(2,24)25)10-18(17)27-20;1-13-3-6-16(19-10-13)8-14-4-5-15(7-14)9-18-20-11-17(22-2)12-21-18/h5-6,14-16,18-19H,2-4,7-13,17H2,1H3;2*5-6,10-12,15-17,21,30H,3-4,7-9,13-14H2,1-2H3;4-5,13-17H,2-3,6-12H2,1H3;5-6,10-14H,3-4,7-9H2,1-2H3;3,6,10-12,14-15H,4-5,7-9H2,1-2H3/t18-,19-;15-,16-,17-,21+;15-,16-,17-,21-;16-,17-;13-,14-;14-,15-/m000000/s1
InChIKeyQMFWUXFCMLDDOH-RDTYFLRDSA-N
MW2709.86 g/mol
LogP27.50
Rot. Bonds36

About 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole

6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole (PubChem CID 165056321) has the molecular formula C138H166N22O10S13 and a molecular weight of 2709.86 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole
PubChem CID165056321
Molecular FormulaC138H166N22O10S13
Molecular Weight2709.86 g/mol
Exact Mass2706.95
IUPAC Name6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole
SMILESCSc1cnc(C[C@H]2CC[C@H](Cc3ccc(C)cn3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5CCC6(CCC6)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5C[C@@H](O)[C@@H](C)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5C[C@H](C)[C@@H](O)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(S(=O)(=O)N5CCOCC5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(S(C)(=O)=O)cc4s3)C2)nc1
InChIInChI=1S/C27H32N4OS2.2C25H30N4O2S2.C23H28N4O3S3.C20H23N3O2S3.C18H23N3S/c1-33-21-15-28-24(29-16-21)12-18-3-4-19(11-18)13-25-30-22-6-5-20(14-23(22)34-25)26(32)31-10-9-27(17-31)7-2-8-27;2*1-15-13-29(14-21(15)30)25(31)18-5-6-20-22(10-18)33-24(28-20)9-17-4-3-16(7-17)8-23-26-11-19(32-2)12-27-23;1-31-18-14-24-22(25-15-18)11-16-2-3-17(10-16)12-23-26-20-5-4-19(13-21(20)32-23)33(28,29)27-6-8-30-9-7-27;1-26-15-11-21-19(22-12-15)8-13-3-4-14(7-13)9-20-23-17-6-5-16(28(2,24)25)10-18(17)27-20;1-13-3-6-16(19-10-13)8-14-4-5-15(7-14)9-18-20-11-17(22-2)12-21-18/h5-6,14-16,18-19H,2-4,7-13,17H2,1H3;2*5-6,10-12,15-17,21,30H,3-4,7-9,13-14H2,1-2H3;4-5,13-17H,2-3,6-12H2,1H3;5-6,10-14H,3-4,7-9H2,1-2H3;3,6,10-12,14-15H,4-5,7-9H2,1-2H3/t18-,19-;15-,16-,17-,21+;15-,16-,17-,21-;16-,17-;13-,14-;14-,15-/m000000/s1
InChIKeyQMFWUXFCMLDDOH-RDTYFLRDSA-N
XLogP27.50
TPSA414.16 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002709.86
LogP ≤ 527.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Analyze 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole (CID 165056321) is 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole is CSc1cnc(C[C@H]2CC[C@H](Cc3ccc(C)cn3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5CCC6(CCC6)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5C[C@@H](O)[C@@H](C)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5C[C@H](C)[C@@H](O)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(S(=O)(=O)N5CCOCC5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(S(C)(=O)=O)cc4s3)C2)nc1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole?
The InChIKey is QMFWUXFCMLDDOH-RDTYFLRDSA-N. The full InChI is InChI=1S/C27H32N4OS2.2C25H30N4O2S2.C23H28N4O3S3.C20H23N3O2S3.C18H23N3S/c1-33-21-15-28-24(29-16-21)12-18-3-4-19(11-18)13-25-30-22-6-5-20(14-23(22)34-25)26(32)31-10-9-27(17-31)7-2-8-27;2*1-15-13-29(14-21(15)30)25(31)18-5-6-20-22(10-18)33-24(28-20)9-17-4-3-16(7-17)8-23-26-11-19(32-2)12-27-23;1-31-18-14-24-22(25-15-18)11-16-2-3-17(10-16)12-23-26-20-5-4-19(13-21(20)32-23)33(28,29)27-6-8-30-9-7-27;1-26-15-11-21-19(22-12-15)8-13-3-4-14(7-13)9-20-23-17-6-5-16(28(2,24)25)10-18(17)27-20;1-13-3-6-16(19-10-13)8-14-4-5-15(7-14)9-18-20-11-17(22-2)12-21-18/h5-6,14-16,18-19H,2-4,7-13,17H2,1H3;2*5-6,10-12,15-17,21,30H,3-4,7-9,13-14H2,1-2H3;4-5,13-17H,2-3,6-12H2,1H3;5-6,10-14H,3-4,7-9H2,1-2H3;3,6,10-12,14-15H,4-5,7-9H2,1-2H3/t18-,19-;15-,16-,17-,21+;15-,16-,17-,21-;16-,17-;13-,14-;14-,15-/m000000/s1.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole?
6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole has a molecular weight of 2709.86 g/mol, XLogP of 27.50, 36 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;2-[[(1S,3S)-3-[(5-methyl-2-pyridinyl)methyl]cyclopentyl]methyl]-5-methylsulfanylpyrimidine;4-[[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]sulfonyl]morpholine;2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-6-methylsulfonyl-1,3-benzothiazole is sourced from PubChem (CID 165056321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).