6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide

C149H139N29O8S5 — CID 158767399

About 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide

6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide (PubChem CID 158767399) has the molecular formula C149H139N29O8S5 and a molecular weight of 2624.28 g/mol. Its IUPAC name is 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
• PubChem CID: 158767399
• Molecular Formula: C149H139N29O8S5
• Molecular Weight: 2624.28 g/mol
• Exact Mass: 2622.00
• IUPAC Name: 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
• SMILES: COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5)n4)nc3c2)CC1.Cn1cc(-c2ccccc2)cc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1.O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1.O=C(Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1)c1cccc(-c2ccccc2)c1.[C-]#[N+]c1cccc(-c2cccc(C(=O)Nc3ccccc3-c3nc4cc(CN5CCN(CCOC)CC5)cnc4s3)n2)c1
• InChI: InChI=1S/C33H31N7O2S.C32H32N6O2S.C30H26N4OS.C29H27N5O2S.C25H23N7OS/c1-34-25-8-5-7-24(20-25)27-11-6-12-29(36-27)31(41)37-28-10-4-3-9-26(28)32-38-30-19-23(21-35-33(30)43-32)22-40-15-13-39(14-16-40)17-18-42-2;1-40-19-18-37-14-16-38(17-15-37)22-23-20-29-32(33-21-23)41-31(36-29)25-10-5-6-11-27(25)35-30(39)28-13-7-12-26(34-28)24-8-3-2-4-9-24;35-28(24-12-8-11-23(18-24)22-9-2-1-3-10-22)32-26-14-5-4-13-25(26)29-33-27-17-21(19-31-30(27)36-29)20-34-15-6-7-16-34;1-33-19-22(21-7-3-2-4-8-21)16-26(33)27(35)31-24-10-6-5-9-23(24)28-32-25-15-20(17-30-29(25)37-28)18-34-11-13-36-14-12-34;33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h3-12,19-21H,13-18,22H2,2H3,(H,37,41);2-13,20-21H,14-19,22H2,1H3,(H,35,39);1-5,8-14,17-19H,6-7,15-16,20H2,(H,32,35);2-10,15-17,19H,11-14,18H2,1H3,(H,31,35);1-8,13,15-16,26H,9-12,14H2,(H,29,33)
• InChIKey: IPKWSUKFEMKSCZ-UHFFFAOYSA-N
• XLogP: 27.41
• TPSA: 389.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2624.28
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide?

The IUPAC name of 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide (CID 158767399) is 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide.

What is the SMILES notation for 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide?

The canonical SMILES for 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide is COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5ccccc5)n4)nc3c2)CC1.Cn1cc(-c2ccccc2)cc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1.O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1.O=C(Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1)c1cccc(-c2ccccc2)c1.[C-]#[N+]c1cccc(-c2cccc(C(=O)Nc3ccccc3-c3nc4cc(CN5CCN(CCOC)CC5)cnc4s3)n2)c1.

What is the InChIKey of 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide?

The InChIKey is IPKWSUKFEMKSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O2S.C32H32N6O2S.C30H26N4OS.C29H27N5O2S.C25H23N7OS/c1-34-25-8-5-7-24(20-25)27-11-6-12-29(36-27)31(41)37-28-10-4-3-9-26(28)32-38-30-19-23(21-35-33(30)43-32)22-40-15-13-39(14-16-40)17-18-42-2;1-40-19-18-37-14-16-38(17-15-37)22-23-20-29-32(33-21-23)41-31(36-29)25-10-5-6-11-27(25)35-30(39)28-13-7-12-26(34-28)24-8-3-2-4-9-24;35-28(24-12-8-11-23(18-24)22-9-2-1-3-10-22)32-26-14-5-4-13-25(26)29-33-27-17-21(19-31-30(27)36-29)20-34-15-6-7-16-34;1-33-19-22(21-7-3-2-4-8-21)16-26(33)27(35)31-24-10-6-5-9-23(24)28-32-25-15-20(17-30-29(25)37-28)18-34-11-13-36-14-12-34;33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h3-12,19-21H,13-18,22H2,2H3,(H,37,41);2-13,20-21H,14-19,22H2,1H3,(H,35,39);1-5,8-14,17-19H,6-7,15-16,20H2,(H,32,35);2-10,15-17,19H,11-14,18H2,1H3,(H,31,35);1-8,13,15-16,26H,9-12,14H2,(H,29,33).

What are the key properties of 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide?

6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide has a molecular weight of 2624.28 g/mol, XLogP of 27.41, 35 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;1-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-4-phenylpyrrole-2-carboxamide;3-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide;N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 158767399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).