2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid

C198H166N34O23S12 — CID 157049534

About 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid

2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 157049534) has the molecular formula C198H166N34O23S12 and a molecular weight of 3774.52 g/mol. Its IUPAC name is 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid
• PubChem CID: 157049534
• Molecular Formula: C198H166N34O23S12
• Molecular Weight: 3774.52 g/mol
• Exact Mass: 3770.95
• IUPAC Name: 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid
• SMILES: CC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCCO.O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCCOc3ccc(-n4ncc5cccnc54)cc3)s1)CC2.O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCCOc3ccccc3)s1)CC2.O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCOc3ccc(-c4ccccc4)cc3)s1)CC2.[C-]#[N+]c1c(-c2ccc(OCC#Cc3sc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)cc2)n[nH]c1C.[C-]#[N+]c1c(N)n[nH]c1-c1cccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c1
• InChI: InChI=1S/C37H31N7O4S2.C36H30N4O4S2.C35H25N7O4S2.C34H28N8O4S2.C31H28N4O4S2.C25H24N4O3S2/c45-34(42-36-40-29-10-1-2-11-30(29)49-36)27-9-5-7-23-17-19-43(22-28(23)27)37-41-32(35(46)47)31(50-37)12-3-4-20-48-26-15-13-25(14-16-26)44-33-24(21-39-44)8-6-18-38-33;41-33(39-35-37-29-12-4-5-13-30(29)45-35)27-11-6-10-25-19-20-40(22-28(25)27)36-38-32(34(42)43)31(46-36)14-7-21-44-26-17-15-24(16-18-26)23-8-2-1-3-9-23;1-20-29(36-2)30(41-40-20)22-12-14-23(15-13-22)46-18-6-11-28-31(33(44)45)38-35(48-28)42-17-16-21-7-5-8-24(25(21)19-42)32(43)39-34-37-26-9-3-4-10-27(26)47-34;1-36-29-27(40-41-30(29)35)20-8-4-9-21(17-20)46-16-6-13-26-28(32(44)45)38-34(48-26)42-15-14-19-7-5-10-22(23(19)18-42)31(43)39-33-37-24-11-2-3-12-25(24)47-33;36-28(34-30-32-24-13-4-5-14-25(24)40-30)22-12-8-9-20-16-17-35(19-23(20)22)31-33-27(29(37)38)26(41-31)15-6-7-18-39-21-10-2-1-3-11-21;1-15(31)22-21(10-5-13-30)34-25(27-22)29-12-11-16-6-4-7-17(18(16)14-29)23(32)28-24-26-19-8-2-3-9-20(19)33-24/h1-2,5-11,13-16,18,21H,3-4,12,17,19-20,22H2,(H,46,47)(H,40,42,45);1-6,8-13,15-18H,7,14,19-22H2,(H,42,43)(H,37,39,41);3-5,7-10,12-15H,16-19H2,1H3,(H,40,41)(H,44,45)(H,37,39,43);2-5,7-12,17H,6,13-16,18H2,(H,44,45)(H3,35,40,41)(H,37,39,43);1-5,8-14H,6-7,15-19H2,(H,37,38)(H,32,34,36);2-4,6-9,30H,5,10-14H2,1H3,(H,26,28,32)
• InChIKey: AAAOMZRRLAIXRU-UHFFFAOYSA-N
• XLogP: 40.46
• TPSA: 741.48 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 54
• Rotatable Bonds: 55
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3774.52
LogP ≤ 5	40.46
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid (CID 157049534) is 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid is CC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCCO.O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCCOc3ccc(-n4ncc5cccnc54)cc3)s1)CC2.O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCCOc3ccccc3)s1)CC2.O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CCCOc3ccc(-c4ccccc4)cc3)s1)CC2.[C-]#[N+]c1c(-c2ccc(OCC#Cc3sc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)cc2)n[nH]c1C.[C-]#[N+]c1c(N)n[nH]c1-c1cccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c1.

What is the InChIKey of 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid?

The InChIKey is AAAOMZRRLAIXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N7O4S2.C36H30N4O4S2.C35H25N7O4S2.C34H28N8O4S2.C31H28N4O4S2.C25H24N4O3S2/c45-34(42-36-40-29-10-1-2-11-30(29)49-36)27-9-5-7-23-17-19-43(22-28(23)27)37-41-32(35(46)47)31(50-37)12-3-4-20-48-26-15-13-25(14-16-26)44-33-24(21-39-44)8-6-18-38-33;41-33(39-35-37-29-12-4-5-13-30(29)45-35)27-11-6-10-25-19-20-40(22-28(25)27)36-38-32(34(42)43)31(46-36)14-7-21-44-26-17-15-24(16-18-26)23-8-2-1-3-9-23;1-20-29(36-2)30(41-40-20)22-12-14-23(15-13-22)46-18-6-11-28-31(33(44)45)38-35(48-28)42-17-16-21-7-5-8-24(25(21)19-42)32(43)39-34-37-26-9-3-4-10-27(26)47-34;1-36-29-27(40-41-30(29)35)20-8-4-9-21(17-20)46-16-6-13-26-28(32(44)45)38-34(48-26)42-15-14-19-7-5-10-22(23(19)18-42)31(43)39-33-37-24-11-2-3-12-25(24)47-33;36-28(34-30-32-24-13-4-5-14-25(24)40-30)22-12-8-9-20-16-17-35(19-23(20)22)31-33-27(29(37)38)26(41-31)15-6-7-18-39-21-10-2-1-3-11-21;1-15(31)22-21(10-5-13-30)34-25(27-22)29-12-11-16-6-4-7-17(18(16)14-29)23(32)28-24-26-19-8-2-3-9-20(19)33-24/h1-2,5-11,13-16,18,21H,3-4,12,17,19-20,22H2,(H,46,47)(H,40,42,45);1-6,8-13,15-18H,7,14,19-22H2,(H,42,43)(H,37,39,41);3-5,7-10,12-15H,16-19H2,1H3,(H,40,41)(H,44,45)(H,37,39,43);2-5,7-12,17H,6,13-16,18H2,(H,44,45)(H3,35,40,41)(H,37,39,43);1-5,8-14H,6-7,15-19H2,(H,37,38)(H,32,34,36);2-4,6-9,30H,5,10-14H2,1H3,(H,26,28,32).

What are the key properties of 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid?

2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 3774.52 g/mol, XLogP of 40.46, 55 rotatable bonds, 15 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-acetyl-5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;5-[3-[3-(3-amino-4-isocyano-1H-pyrazol-5-yl)phenoxy]propyl]-2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-(4-isocyano-5-methyl-1H-pyrazol-3-yl)phenoxy]prop-1-ynyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-phenoxybutyl)-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-phenylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(4-pyrazolo[5,4-b]pyridin-1-ylphenoxy)butyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 157049534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).