4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine

C209H295N25O6S9 — CID 158917778

IUPAC4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCC(=O)N1CCC(c2csc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCCN(CCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCN(CCO)CC5)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCN(CCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCNCC4)n3)ccc21
InChIInChI=1S/C28H42N4OS.C26H38N2OS.C24H35N3OS.C24H32N2OS.C24H34N2OS.C23H33N3OS.C21H29N3S.C20H27N3S.C19H25N3S/c1-27(2)9-10-28(3,4)24-19-21(5-6-23(24)27)25-20-34-26(29-25)32-11-7-22(8-12-32)31-15-13-30(14-16-31)17-18-33;1-25(2)12-13-26(3,4)22-17-20(8-9-21(22)25)23-18-30-24(27-23)28-14-10-19(11-15-28)7-5-6-16-29;1-24(2)10-6-7-19-17-20(8-9-21(19)24)22-18-29-23(25-22)27-14-12-26(13-15-27)11-4-3-5-16-28;1-16(27)26-12-8-17(9-13-26)21-15-28-22(25-21)18-6-7-19-20(14-18)24(4,5)11-10-23(19,2)3;1-23(2)9-10-24(3,4)20-14-17(7-8-19(20)23)21-16-28-22(25-21)18-6-5-11-26(15-18)12-13-27;1-23(2)9-5-6-18-16-19(7-8-20(18)23)21-17-28-22(24-21)26-13-11-25(12-14-26)10-3-4-15-27;1-20(2)8-9-21(3,4)17-11-14(5-6-16(17)20)18-13-25-19(23-18)24-10-7-15(22)12-24;1-20(2)9-3-4-14-12-15(5-6-17(14)20)18-13-24-19(22-18)23-10-7-16(21)8-11-23;1-19(2)7-3-4-14-12-15(5-6-16(14)19)17-13-23-18(21-17)22-10-8-20-9-11-22/h5-6,19-20,22,33H,7-18H2,1-4H3;8-9,17-19,29H,5-7,10-16H2,1-4H3;8-9,17-18,28H,3-7,10-16H2,1-2H3;6-7,14-15,17H,8-13H2,1-5H3;7-8,14,16,18,27H,5-6,9-13,15H2,1-4H3;7-8,16-17,27H,3-6,9-15H2,1-2H3;5-6,11,13,15H,7-10,12,22H2,1-4H3;5-6,12-13,16H,3-4,7-11,21H2,1-2H3;5-6,12-13,20H,3-4,7-11H2,1-2H3
InChIKeyJHLIBGBWQPIREE-UHFFFAOYSA-N
MW3542.43 g/mol
LogP44.40
Rot. Bonds36

About 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine

4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (PubChem CID 158917778) has the molecular formula C209H295N25O6S9 and a molecular weight of 3542.43 g/mol. Its IUPAC name is 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
PubChem CID158917778
Molecular FormulaC209H295N25O6S9
Molecular Weight3542.43 g/mol
Exact Mass3539.10
IUPAC Name4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCC(=O)N1CCC(c2csc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCCN(CCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCN(CCO)CC5)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCN(CCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCNCC4)n3)ccc21
InChIInChI=1S/C28H42N4OS.C26H38N2OS.C24H35N3OS.C24H32N2OS.C24H34N2OS.C23H33N3OS.C21H29N3S.C20H27N3S.C19H25N3S/c1-27(2)9-10-28(3,4)24-19-21(5-6-23(24)27)25-20-34-26(29-25)32-11-7-22(8-12-32)31-15-13-30(14-16-31)17-18-33;1-25(2)12-13-26(3,4)22-17-20(8-9-21(22)25)23-18-30-24(27-23)28-14-10-19(11-15-28)7-5-6-16-29;1-24(2)10-6-7-19-17-20(8-9-21(19)24)22-18-29-23(25-22)27-14-12-26(13-15-27)11-4-3-5-16-28;1-16(27)26-12-8-17(9-13-26)21-15-28-22(25-21)18-6-7-19-20(14-18)24(4,5)11-10-23(19,2)3;1-23(2)9-10-24(3,4)20-14-17(7-8-19(20)23)21-16-28-22(25-21)18-6-5-11-26(15-18)12-13-27;1-23(2)9-5-6-18-16-19(7-8-20(18)23)21-17-28-22(24-21)26-13-11-25(12-14-26)10-3-4-15-27;1-20(2)8-9-21(3,4)17-11-14(5-6-16(17)20)18-13-25-19(23-18)24-10-7-15(22)12-24;1-20(2)9-3-4-14-12-15(5-6-17(14)20)18-13-24-19(22-18)23-10-7-16(21)8-11-23;1-19(2)7-3-4-14-12-15(5-6-16(14)19)17-13-23-18(21-17)22-10-8-20-9-11-22/h5-6,19-20,22,33H,7-18H2,1-4H3;8-9,17-19,29H,5-7,10-16H2,1-4H3;8-9,17-18,28H,3-7,10-16H2,1-2H3;6-7,14-15,17H,8-13H2,1-5H3;7-8,14,16,18,27H,5-6,9-13,15H2,1-4H3;7-8,16-17,27H,3-6,9-15H2,1-2H3;5-6,11,13,15H,7-10,12,22H2,1-4H3;5-6,12-13,16H,3-4,7-11,21H2,1-2H3;5-6,12-13,20H,3-4,7-11H2,1-2H3
InChIKeyJHLIBGBWQPIREE-UHFFFAOYSA-N
XLogP44.40
TPSA340.42 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003542.43
LogP ≤ 544.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (CID 158917778) is 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is CC(=O)N1CCC(c2csc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCCN(CCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCN(CCO)CC5)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCN(CCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCNCC4)n3)ccc21.
What is the InChIKey of 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The InChIKey is JHLIBGBWQPIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4OS.C26H38N2OS.C24H35N3OS.C24H32N2OS.C24H34N2OS.C23H33N3OS.C21H29N3S.C20H27N3S.C19H25N3S/c1-27(2)9-10-28(3,4)24-19-21(5-6-23(24)27)25-20-34-26(29-25)32-11-7-22(8-12-32)31-15-13-30(14-16-31)17-18-33;1-25(2)12-13-26(3,4)22-17-20(8-9-21(22)25)23-18-30-24(27-23)28-14-10-19(11-15-28)7-5-6-16-29;1-24(2)10-6-7-19-17-20(8-9-21(19)24)22-18-29-23(25-22)27-14-12-26(13-15-27)11-4-3-5-16-28;1-16(27)26-12-8-17(9-13-26)21-15-28-22(25-21)18-6-7-19-20(14-18)24(4,5)11-10-23(19,2)3;1-23(2)9-10-24(3,4)20-14-17(7-8-19(20)23)21-16-28-22(25-21)18-6-5-11-26(15-18)12-13-27;1-23(2)9-5-6-18-16-19(7-8-20(18)23)21-17-28-22(24-21)26-13-11-25(12-14-26)10-3-4-15-27;1-20(2)8-9-21(3,4)17-11-14(5-6-16(17)20)18-13-25-19(23-18)24-10-7-15(22)12-24;1-20(2)9-3-4-14-12-15(5-6-17(14)20)18-13-24-19(22-18)23-10-7-16(21)8-11-23;1-19(2)7-3-4-14-12-15(5-6-16(14)19)17-13-23-18(21-17)22-10-8-20-9-11-22/h5-6,19-20,22,33H,7-18H2,1-4H3;8-9,17-19,29H,5-7,10-16H2,1-4H3;8-9,17-18,28H,3-7,10-16H2,1-2H3;6-7,14-15,17H,8-13H2,1-5H3;7-8,14,16,18,27H,5-6,9-13,15H2,1-4H3;7-8,16-17,27H,3-6,9-15H2,1-2H3;5-6,11,13,15H,7-10,12,22H2,1-4H3;5-6,12-13,16H,3-4,7-11,21H2,1-2H3;5-6,12-13,20H,3-4,7-11H2,1-2H3.
What are the key properties of 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine has a molecular weight of 3542.43 g/mol, XLogP of 44.40, 36 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-piperazin-1-yl-1,3-thiazole;4-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]butan-1-ol;5-[4-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-1-ol;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanol;1-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;2-[4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 158917778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).