2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone

C195H252N18O11S6 — CID 160826276

IUPAC2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone
SMILESCCCN(CCC1CCC(CC(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3ccccc3O)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3ccccc3OC)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccccc2-c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1
InChIInChI=1S/3C33H43N3O2S.2C32H41N3O2S.C32H41N3OS/c1-3-19-36(28-14-17-30-32(22-28)39-33(34)35-30)20-18-23-4-6-24(7-5-23)21-31(37)27-10-8-25(9-11-27)26-12-15-29(38-2)16-13-26;1-3-18-36(28-15-16-30-32(22-28)39-33(34)35-30)19-17-23-7-9-24(10-8-23)20-31(37)26-13-11-25(12-14-26)27-5-4-6-29(21-27)38-2;1-3-19-36(27-16-17-29-32(22-27)39-33(34)35-29)20-18-23-8-10-24(11-9-23)21-30(37)26-14-12-25(13-15-26)28-6-4-5-7-31(28)38-2;1-2-17-35(27-14-15-29-31(21-27)38-32(33)34-29)18-16-22-6-8-23(9-7-22)19-30(37)25-12-10-24(11-13-25)26-4-3-5-28(36)20-26;1-2-18-35(26-15-16-28-31(21-26)38-32(33)34-28)19-17-22-7-9-23(10-8-22)20-30(37)25-13-11-24(12-14-25)27-5-3-4-6-29(27)36;1-2-19-35(26-16-17-29-31(22-26)37-32(33)34-29)20-18-23-12-14-24(15-13-23)21-30(36)28-11-7-6-10-27(28)25-8-4-3-5-9-25/h8-13,15-16,23-24,28H,3-7,14,17-22H2,1-2H3,(H2,34,35);4-6,11-14,21,23-24,28H,3,7-10,15-20,22H2,1-2H3,(H2,34,35);4-7,12-15,23-24,27H,3,8-11,16-22H2,1-2H3,(H2,34,35);3-5,10-13,20,22-23,27,36H,2,6-9,14-19,21H2,1H3,(H2,33,34);3-6,11-14,22-23,26,36H,2,7-10,15-21H2,1H3,(H2,33,34);3-11,23-24,26H,2,12-22H2,1H3,(H2,33,34)/t2*23?,24?,28-;23?,24?,27-;22?,23?,27-;22?,23?,26-;23?,24?,26-/m000000/s1
InChIKeySGFFMFSBAKFESJ-XAOURPHYSA-N
MW3216.68 g/mol
LogP44.02
Rot. Bonds63

About 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone

2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone (PubChem CID 160826276) has the molecular formula C195H252N18O11S6 and a molecular weight of 3216.68 g/mol. Its IUPAC name is 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone
PubChem CID160826276
Molecular FormulaC195H252N18O11S6
Molecular Weight3216.68 g/mol
Exact Mass3213.80
IUPAC Name2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone
SMILESCCCN(CCC1CCC(CC(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3ccccc3O)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3ccccc3OC)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccccc2-c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1
InChIInChI=1S/3C33H43N3O2S.2C32H41N3O2S.C32H41N3OS/c1-3-19-36(28-14-17-30-32(22-28)39-33(34)35-30)20-18-23-4-6-24(7-5-23)21-31(37)27-10-8-25(9-11-27)26-12-15-29(38-2)16-13-26;1-3-18-36(28-15-16-30-32(22-28)39-33(34)35-30)19-17-23-7-9-24(10-8-23)20-31(37)26-13-11-25(12-14-26)27-5-4-6-29(21-27)38-2;1-3-19-36(27-16-17-29-32(22-27)39-33(34)35-29)20-18-23-8-10-24(11-9-23)21-30(37)26-14-12-25(13-15-26)28-6-4-5-7-31(28)38-2;1-2-17-35(27-14-15-29-31(21-27)38-32(33)34-29)18-16-22-6-8-23(9-7-22)19-30(37)25-12-10-24(11-13-25)26-4-3-5-28(36)20-26;1-2-18-35(26-15-16-28-31(21-26)38-32(33)34-28)19-17-22-7-9-23(10-8-22)20-30(37)25-13-11-24(12-14-25)27-5-3-4-6-29(27)36;1-2-19-35(26-16-17-29-31(22-26)37-32(33)34-29)20-18-23-12-14-24(15-13-23)21-30(36)28-11-7-6-10-27(28)25-8-4-3-5-9-25/h8-13,15-16,23-24,28H,3-7,14,17-22H2,1-2H3,(H2,34,35);4-6,11-14,21,23-24,28H,3,7-10,15-20,22H2,1-2H3,(H2,34,35);4-7,12-15,23-24,27H,3,8-11,16-22H2,1-2H3,(H2,34,35);3-5,10-13,20,22-23,27,36H,2,6-9,14-19,21H2,1H3,(H2,33,34);3-6,11-14,22-23,26,36H,2,7-10,15-21H2,1H3,(H2,33,34);3-11,23-24,26H,2,12-22H2,1H3,(H2,33,34)/t2*23?,24?,28-;23?,24?,27-;22?,23?,27-;22?,23?,26-;23?,24?,26-/m000000/s1
InChIKeySGFFMFSBAKFESJ-XAOURPHYSA-N
XLogP44.02
TPSA423.47 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds63
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003216.68
LogP ≤ 544.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone?
The IUPAC name of 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone (CID 160826276) is 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone.
What is the SMILES notation for 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone?
The canonical SMILES for 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone is CCCN(CCC1CCC(CC(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3ccccc3O)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccc(-c3ccccc3OC)cc2)CC1)[C@H]1CCc2nc(N)sc2C1.CCCN(CCC1CCC(CC(=O)c2ccccc2-c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1.
What is the InChIKey of 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone?
The InChIKey is SGFFMFSBAKFESJ-XAOURPHYSA-N. The full InChI is InChI=1S/3C33H43N3O2S.2C32H41N3O2S.C32H41N3OS/c1-3-19-36(28-14-17-30-32(22-28)39-33(34)35-30)20-18-23-4-6-24(7-5-23)21-31(37)27-10-8-25(9-11-27)26-12-15-29(38-2)16-13-26;1-3-18-36(28-15-16-30-32(22-28)39-33(34)35-30)19-17-23-7-9-24(10-8-23)20-31(37)26-13-11-25(12-14-26)27-5-4-6-29(21-27)38-2;1-3-19-36(27-16-17-29-32(22-27)39-33(34)35-29)20-18-23-8-10-24(11-9-23)21-30(37)26-14-12-25(13-15-26)28-6-4-5-7-31(28)38-2;1-2-17-35(27-14-15-29-31(21-27)38-32(33)34-29)18-16-22-6-8-23(9-7-22)19-30(37)25-12-10-24(11-13-25)26-4-3-5-28(36)20-26;1-2-18-35(26-15-16-28-31(21-26)38-32(33)34-28)19-17-22-7-9-23(10-8-22)20-30(37)25-13-11-24(12-14-25)27-5-3-4-6-29(27)36;1-2-19-35(26-16-17-29-31(22-26)37-32(33)34-29)20-18-23-12-14-24(15-13-23)21-30(36)28-11-7-6-10-27(28)25-8-4-3-5-9-25/h8-13,15-16,23-24,28H,3-7,14,17-22H2,1-2H3,(H2,34,35);4-6,11-14,21,23-24,28H,3,7-10,15-20,22H2,1-2H3,(H2,34,35);4-7,12-15,23-24,27H,3,8-11,16-22H2,1-2H3,(H2,34,35);3-5,10-13,20,22-23,27,36H,2,6-9,14-19,21H2,1H3,(H2,33,34);3-6,11-14,22-23,26,36H,2,7-10,15-21H2,1H3,(H2,33,34);3-11,23-24,26H,2,12-22H2,1H3,(H2,33,34)/t2*23?,24?,28-;23?,24?,27-;22?,23?,27-;22?,23?,26-;23?,24?,26-/m000000/s1.
What are the key properties of 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone?
2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone has a molecular weight of 3216.68 g/mol, XLogP of 44.02, 63 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-hydroxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(2-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(3-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-[4-(4-methoxyphenyl)phenyl]ethanone;2-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-1-(2-phenylphenyl)ethanone is sourced from PubChem (CID 160826276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).