N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide

C130H149N21O10S4 — CID 158626368

About N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide

N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide (PubChem CID 158626368) has the molecular formula C130H149N21O10S4 and a molecular weight of 2294.03 g/mol. Its IUPAC name is N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide
• PubChem CID: 158626368
• Molecular Formula: C130H149N21O10S4
• Molecular Weight: 2294.03 g/mol
• Exact Mass: 2292.07
• IUPAC Name: N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide
• SMILES: CCC(C)C(=O)N1CCN(Cc2csc(NC[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccccc3)n2)CC1.O=C(Cc1ccccc1)N[C@@H](CNc1nc(CN2CCN(C(=O)Cc3ccccc3)CC2)cs1)Cc1ccc(O)cc1.O=C(Cc1ccccc1)N[C@H](CNc1nc(CN2CCN(C(=O)Cc3ccccc3)CC2)cs1)Cc1c[nH]c2ccccc12.O=C(Cc1ccccc1)N[C@H](CNc1nc(CN2CCN(C(=O)Cc3ccccc3)CC2)cs1)c1ccccc1
• InChI: InChI=1S/C35H38N6O2S.C33H37N5O3S.C32H35N5O2S.C30H39N5O3S/c42-33(19-26-9-3-1-4-10-26)38-29(21-28-22-36-32-14-8-7-13-31(28)32)23-37-35-39-30(25-44-35)24-40-15-17-41(18-16-40)34(43)20-27-11-5-2-6-12-27;39-30-13-11-27(12-14-30)19-28(35-31(40)20-25-7-3-1-4-8-25)22-34-33-36-29(24-42-33)23-37-15-17-38(18-16-37)32(41)21-26-9-5-2-6-10-26;38-30(20-25-10-4-1-5-11-25)35-29(27-14-8-3-9-15-27)22-33-32-34-28(24-40-32)23-36-16-18-37(19-17-36)31(39)21-26-12-6-2-7-13-26;1-3-22(2)29(38)35-15-13-34(14-16-35)20-26-21-39-30(33-26)31-19-25(17-24-9-11-27(36)12-10-24)32-28(37)18-23-7-5-4-6-8-23/h1-14,22,25,29,36H,15-21,23-24H2,(H,37,39)(H,38,42);1-14,24,28,39H,15-23H2,(H,34,36)(H,35,40);1-15,24,29H,16-23H2,(H,33,34)(H,35,38);4-12,21-22,25,36H,3,13-20H2,1-2H3,(H,31,33)(H,32,37)/t29-;28-;29-;22?,25-/m0110/s1
• InChIKey: HYQGITMSFGSBHK-ZRKABTQDSA-N
• XLogP: 17.47
• TPSA: 366.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 47
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.03
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide?

The IUPAC name of N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide (CID 158626368) is N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide.

What is the SMILES notation for N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide?

The canonical SMILES for N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide is CCC(C)C(=O)N1CCN(Cc2csc(NC[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccccc3)n2)CC1.O=C(Cc1ccccc1)N[C@@H](CNc1nc(CN2CCN(C(=O)Cc3ccccc3)CC2)cs1)Cc1ccc(O)cc1.O=C(Cc1ccccc1)N[C@H](CNc1nc(CN2CCN(C(=O)Cc3ccccc3)CC2)cs1)Cc1c[nH]c2ccccc12.O=C(Cc1ccccc1)N[C@H](CNc1nc(CN2CCN(C(=O)Cc3ccccc3)CC2)cs1)c1ccccc1.

What is the InChIKey of N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide?

The InChIKey is HYQGITMSFGSBHK-ZRKABTQDSA-N. The full InChI is InChI=1S/C35H38N6O2S.C33H37N5O3S.C32H35N5O2S.C30H39N5O3S/c42-33(19-26-9-3-1-4-10-26)38-29(21-28-22-36-32-14-8-7-13-31(28)32)23-37-35-39-30(25-44-35)24-40-15-17-41(18-16-40)34(43)20-27-11-5-2-6-12-27;39-30-13-11-27(12-14-30)19-28(35-31(40)20-25-7-3-1-4-8-25)22-34-33-36-29(24-42-33)23-37-15-17-38(18-16-37)32(41)21-26-9-5-2-6-10-26;38-30(20-25-10-4-1-5-11-25)35-29(27-14-8-3-9-15-27)22-33-32-34-28(24-40-32)23-36-16-18-37(19-17-36)31(39)21-26-12-6-2-7-13-26;1-3-22(2)29(38)35-15-13-34(14-16-35)20-26-21-39-30(33-26)31-19-25(17-24-9-11-27(36)12-10-24)32-28(37)18-23-7-5-4-6-8-23/h1-14,22,25,29,36H,15-21,23-24H2,(H,37,39)(H,38,42);1-14,24,28,39H,15-23H2,(H,34,36)(H,35,40);1-15,24,29H,16-23H2,(H,33,34)(H,35,38);4-12,21-22,25,36H,3,13-20H2,1-2H3,(H,31,33)(H,32,37)/t29-;28-;29-;22?,25-/m0110/s1.

What are the key properties of N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide?

N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide has a molecular weight of 2294.03 g/mol, XLogP of 17.47, 47 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;N-[(2S)-1-(1H-indol-3-yl)-3-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]-2-phenylacetamide;2-phenyl-N-[(1S)-1-phenyl-2-[[4-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 158626368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).