3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C141H138F11N25O9S5 — CID 158486119

About 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 158486119) has the molecular formula C141H138F11N25O9S5 and a molecular weight of 2696.13 g/mol. Its IUPAC name is 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 158486119
• Molecular Formula: C141H138F11N25O9S5
• Molecular Weight: 2696.13 g/mol
• Exact Mass: 2693.95
• IUPAC Name: 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: CCN1CCN(Cc2ccc(CC(=O)c3ccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)cc3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5[nH]c(=O)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(N)sc5n4)c3)cc2C(F)(F)F)CC1.Cc1cn(-c2cc(CC(=O)c3ccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)cc3)cc(C(F)(F)F)c2)cn1.O=C(CCCN1CCCCC1)c1ccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)cc1
• InChI: InChI=1S/C33H35F2N5O2S.C29H22F3N5O2S.C27H27F3N6OS.C27H26F3N5O2S.C25H28N4O2S/c1-3-39-14-16-40(17-15-39)20-25-5-4-21(18-26(25)33(2,34)35)19-29(41)23-8-6-22(7-9-23)27-12-13-28-31(36-27)43-32(37-28)38-30(42)24-10-11-24;1-16-14-37(15-33-16)22-11-17(10-21(13-22)29(30,31)32)12-25(38)19-4-2-18(3-5-19)23-8-9-24-27(34-23)40-28(35-24)36-26(39)20-6-7-20;1-2-35-10-12-36(13-11-35)16-19-6-7-20(15-21(19)27(28,29)30)32-24(37)18-5-3-4-17(14-18)22-8-9-23-25(33-22)38-26(31)34-23;1-2-34-10-12-35(13-11-34)16-19-6-7-20(15-21(19)27(28,29)30)31-24(36)18-5-3-4-17(14-18)22-8-9-23-25(32-22)38-26(37)33-23;30-22(5-4-16-29-14-2-1-3-15-29)18-8-6-17(7-9-18)20-12-13-21-24(26-20)32-25(27-21)28-23(31)19-10-11-19/h4-9,12-13,18,24H,3,10-11,14-17,19-20H2,1-2H3,(H,37,38,42);2-5,8-11,13-15,20H,6-7,12H2,1H3,(H,35,36,39);3-9,14-15H,2,10-13,16H2,1H3,(H2,31,34)(H,32,37);3-9,14-15H,2,10-13,16H2,1H3,(H,31,36)(H,33,37);6-9,12-13,19H,1-5,10-11,14-16H2,(H,27,28,31)
• InChIKey: HICSKOBMKFUYLL-UHFFFAOYSA-N
• XLogP: 28.59
• TPSA: 412.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2696.13
LogP ≤ 5	28.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 158486119) is 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is CCN1CCN(Cc2ccc(CC(=O)c3ccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)cc3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5[nH]c(=O)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(N)sc5n4)c3)cc2C(F)(F)F)CC1.Cc1cn(-c2cc(CC(=O)c3ccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)cc3)cc(C(F)(F)F)c2)cn1.O=C(CCCN1CCCCC1)c1ccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)cc1.

What is the InChIKey of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is HICSKOBMKFUYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F2N5O2S.C29H22F3N5O2S.C27H27F3N6OS.C27H26F3N5O2S.C25H28N4O2S/c1-3-39-14-16-40(17-15-39)20-25-5-4-21(18-26(25)33(2,34)35)19-29(41)23-8-6-22(7-9-23)27-12-13-28-31(36-27)43-32(37-28)38-30(42)24-10-11-24;1-16-14-37(15-33-16)22-11-17(10-21(13-22)29(30,31)32)12-25(38)19-4-2-18(3-5-19)23-8-9-24-27(34-23)40-28(35-24)36-26(39)20-6-7-20;1-2-35-10-12-36(13-11-35)16-19-6-7-20(15-21(19)27(28,29)30)32-24(37)18-5-3-4-17(14-18)22-8-9-23-25(33-22)38-26(31)34-23;1-2-34-10-12-35(13-11-34)16-19-6-7-20(15-21(19)27(28,29)30)31-24(36)18-5-3-4-17(14-18)22-8-9-23-25(32-22)38-26(37)33-23;30-22(5-4-16-29-14-2-1-3-15-29)18-8-6-17(7-9-18)20-12-13-21-24(26-20)32-25(27-21)28-23(31)19-10-11-19/h4-9,12-13,18,24H,3,10-11,14-17,19-20H2,1-2H3,(H,37,38,42);2-5,8-11,13-15,20H,6-7,12H2,1H3,(H,35,36,39);3-9,14-15H,2,10-13,16H2,1H3,(H2,31,34)(H,32,37);3-9,14-15H,2,10-13,16H2,1H3,(H,31,36)(H,33,37);6-9,12-13,19H,1-5,10-11,14-16H2,(H,27,28,31).

What are the key properties of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?

3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 2696.13 g/mol, XLogP of 28.59, 37 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 158486119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).