N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide

C186H172FN29O10S6 — CID 160984349

About N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide

N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide (PubChem CID 160984349) has the molecular formula C186H172FN29O10S6 and a molecular weight of 3185.01 g/mol. Its IUPAC name is N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide
• PubChem CID: 160984349
• Molecular Formula: C186H172FN29O10S6
• Molecular Weight: 3185.01 g/mol
• Exact Mass: 3182.22
• IUPAC Name: N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide
• SMILES: COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5)c4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5)c4)nc3c2)CC1.NC1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5)c4)nc3c2)CC1.O=C(Nc1ccccc1-c1nc2cc(CN3CCNCC3)ccc2s1)c1cccc(-c2ccccc2)c1.O=C(Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1)c1cccc(-c2cccc(F)c2)n1.O=C(Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1)c1cccc(-c2ccccc2)n1
• InChI: InChI=1S/2C33H33N5O2S.C31H29N5OS.C31H28N4OS.C29H24FN5O2S.C29H25N5O2S/c2*1-40-19-18-37-14-16-38(17-15-37)23-24-20-30-33(34-22-24)41-32(36-30)28-12-5-6-13-29(28)35-31(39)27-11-7-10-26(21-27)25-8-3-2-4-9-25;32-25-13-15-36(16-14-25)20-21-17-28-31(33-19-21)38-30(35-28)26-11-4-5-12-27(26)34-29(37)24-10-6-9-23(18-24)22-7-2-1-3-8-22;36-30(25-10-6-9-24(20-25)23-7-2-1-3-8-23)33-27-12-5-4-11-26(27)31-34-28-19-22(13-14-29(28)37-31)21-35-17-15-32-16-18-35;30-21-6-3-5-20(16-21)23-9-4-10-25(32-23)27(36)33-24-8-2-1-7-22(24)28-34-26-15-19(17-31-29(26)38-28)18-35-11-13-37-14-12-35;35-27(25-12-6-11-23(31-25)21-7-2-1-3-8-21)32-24-10-5-4-9-22(24)28-33-26-17-20(18-30-29(26)37-28)19-34-13-15-36-16-14-34/h2*2-13,20-22H,14-19,23H2,1H3,(H,35,39);1-12,17-19,25H,13-16,20,32H2,(H,34,37);1-14,19-20,32H,15-18,21H2,(H,33,36);1-10,15-17H,11-14,18H2,(H,33,36);1-12,17-18H,13-16,19H2,(H,32,35)
• InChIKey: SZXSYPPBCUKEJT-UHFFFAOYSA-N
• XLogP: 35.72
• TPSA: 443.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 42
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3185.01
LogP ≤ 5	35.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide?

The IUPAC name of N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide (CID 160984349) is N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide.

What is the SMILES notation for N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide?

The canonical SMILES for N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide is COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5)c4)nc3c2)CC1.COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5)c4)nc3c2)CC1.NC1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5)c4)nc3c2)CC1.O=C(Nc1ccccc1-c1nc2cc(CN3CCNCC3)ccc2s1)c1cccc(-c2ccccc2)c1.O=C(Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1)c1cccc(-c2cccc(F)c2)n1.O=C(Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1)c1cccc(-c2ccccc2)n1.

What is the InChIKey of N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide?

The InChIKey is SZXSYPPBCUKEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H33N5O2S.C31H29N5OS.C31H28N4OS.C29H24FN5O2S.C29H25N5O2S/c2*1-40-19-18-37-14-16-38(17-15-37)23-24-20-30-33(34-22-24)41-32(36-30)28-12-5-6-13-29(28)35-31(39)27-11-7-10-26(21-27)25-8-3-2-4-9-25;32-25-13-15-36(16-14-25)20-21-17-28-31(33-19-21)38-30(35-28)26-11-4-5-12-27(26)34-29(37)24-10-6-9-23(18-24)22-7-2-1-3-8-22;36-30(25-10-6-9-24(20-25)23-7-2-1-3-8-23)33-27-12-5-4-11-26(27)31-34-28-19-22(13-14-29(28)37-31)21-35-17-15-32-16-18-35;30-21-6-3-5-20(16-21)23-9-4-10-25(32-23)27(36)33-24-8-2-1-7-22(24)28-34-26-15-19(17-31-29(26)38-28)18-35-11-13-37-14-12-35;35-27(25-12-6-11-23(31-25)21-7-2-1-3-8-21)32-24-10-5-4-9-22(24)28-33-26-17-20(18-30-29(26)37-28)19-34-13-15-36-16-14-34/h2*2-13,20-22H,14-19,23H2,1H3,(H,35,39);1-12,17-19,25H,13-16,20,32H2,(H,34,37);1-14,19-20,32H,15-18,21H2,(H,33,36);1-10,15-17H,11-14,18H2,(H,33,36);1-12,17-18H,13-16,19H2,(H,32,35).

What are the key properties of N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide?

N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide has a molecular weight of 3185.01 g/mol, XLogP of 35.72, 42 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;bis(N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide);N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[5-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 160984349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).