(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C191H203Cl6N27O16S6 — CID 157329787

About (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 157329787) has the molecular formula C191H203Cl6N27O16S6 and a molecular weight of 3538.02 g/mol. Its IUPAC name is (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

• Compound Name: (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• PubChem CID: 157329787
• Molecular Formula: C191H203Cl6N27O16S6
• Molecular Weight: 3538.02 g/mol
• Exact Mass: 3532.24
• IUPAC Name: (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• SMILES: CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)nnc3C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C)C[C@@H]4C)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C5CC5)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C5COC5)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCOCC4)n3)sc2c1-c1ccc(Cl)cc1.COc1ccc(-c2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)cnn2)cc1OC
• InChI: InChI=1S/C34H32ClN5O2S.C33H32ClN3O4S.C32H36ClN5O3S.C32H36ClN5O2S.C31H36ClN5O2S.C29H31ClN4O3S/c1-18-14-27-32(30(21-8-11-24(35)12-9-21)29(18)31(20(3)41)42-34(4,5)6)43-33(37-27)25-16-26(39-38-19(25)2)22-10-13-28-23(15-22)17-36-40(28)7;1-18-14-25-31(29(20-8-11-23(34)12-9-20)28(18)30(19(2)38)41-33(3,4)5)42-32(36-25)22-15-24(37-35-17-22)21-10-13-26(39-6)27(16-21)40-7;1-19-16-25-29(27(21-6-8-22(33)9-7-21)26(19)28(20(2)39)41-32(3,4)5)42-30(35-25)24-10-11-34-31(36-24)38-14-12-37(13-15-38)23-17-40-18-23;1-19-18-25-29(27(21-6-8-22(33)9-7-21)26(19)28(20(2)39)40-32(3,4)5)41-30(35-25)24-12-13-34-31(36-24)38-16-14-37(15-17-38)23-10-11-23;1-18-16-24-28(26(21-8-10-22(32)11-9-21)25(18)27(20(3)38)39-31(4,5)6)40-29(34-24)23-12-13-33-30(35-23)37-15-14-36(7)17-19(37)2;1-17-16-22-26(38-27(32-22)21-10-11-31-28(33-21)34-12-14-36-15-13-34)24(19-6-8-20(30)9-7-19)23(17)25(18(2)35)37-29(3,4)5/h8-17,31H,1-7H3;8-17,30H,1-7H3;6-11,16,23,28H,12-15,17-18H2,1-5H3;6-9,12-13,18,23,28H,10-11,14-17H2,1-5H3;8-13,16,19,27H,14-15,17H2,1-7H3;6-11,16,25H,12-15H2,1-5H3/t31-;30-;2*28-;19-,27+;25-/m111101/s1
• InChIKey: BFDPGGRPOACLQA-KCZBQFGWSA-N
• XLogP: 44.29
• TPSA: 467.24 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 40
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3538.02
LogP ≤ 5	44.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 157329787) is (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

What is the SMILES notation for (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The canonical SMILES for (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)nnc3C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C)C[C@@H]4C)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C5CC5)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C5COC5)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCOCC4)n3)sc2c1-c1ccc(Cl)cc1.COc1ccc(-c2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)cnn2)cc1OC.

What is the InChIKey of (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The InChIKey is BFDPGGRPOACLQA-KCZBQFGWSA-N. The full InChI is InChI=1S/C34H32ClN5O2S.C33H32ClN3O4S.C32H36ClN5O3S.C32H36ClN5O2S.C31H36ClN5O2S.C29H31ClN4O3S/c1-18-14-27-32(30(21-8-11-24(35)12-9-21)29(18)31(20(3)41)42-34(4,5)6)43-33(37-27)25-16-26(39-38-19(25)2)22-10-13-28-23(15-22)17-36-40(28)7;1-18-14-25-31(29(20-8-11-23(34)12-9-20)28(18)30(19(2)38)41-33(3,4)5)42-32(36-25)22-15-24(37-35-17-22)21-10-13-26(39-6)27(16-21)40-7;1-19-16-25-29(27(21-6-8-22(33)9-7-21)26(19)28(20(2)39)41-32(3,4)5)42-30(35-25)24-10-11-34-31(36-24)38-14-12-37(13-15-38)23-17-40-18-23;1-19-18-25-29(27(21-6-8-22(33)9-7-21)26(19)28(20(2)39)40-32(3,4)5)41-30(35-25)24-12-13-34-31(36-24)38-16-14-37(15-17-38)23-10-11-23;1-18-16-24-28(26(21-8-10-22(32)11-9-21)25(18)27(20(3)38)39-31(4,5)6)40-29(34-24)23-12-13-33-30(35-23)37-15-14-36(7)17-19(37)2;1-17-16-22-26(38-27(32-22)21-10-11-31-28(33-21)34-12-14-36-15-13-34)24(19-6-8-20(30)9-7-19)23(17)25(18(2)35)37-29(3,4)5/h8-17,31H,1-7H3;8-17,30H,1-7H3;6-11,16,23,28H,12-15,17-18H2,1-5H3;6-9,12-13,18,23,28H,10-11,14-17H2,1-5H3;8-13,16,19,27H,14-15,17H2,1-7H3;6-11,16,25H,12-15H2,1-5H3/t31-;30-;2*28-;19-,27+;25-/m111101/s1.

What are the key properties of (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 3538.02 g/mol, XLogP of 44.29, 40 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[7-(4-chlorophenyl)-2-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-[(2S)-2,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[3-methyl-6-(1-methylindazol-5-yl)pyridazin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 157329787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).