1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

C125H122N38O6S6 — CID 159017326

About 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 159017326) has the molecular formula C125H122N38O6S6 and a molecular weight of 2445.01 g/mol. Its IUPAC name is 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 159017326
• Molecular Formula: C125H122N38O6S6
• Molecular Weight: 2445.01 g/mol
• Exact Mass: 2442.87
• IUPAC Name: 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: CCc1ccc2nc(Nc3cc(N4CCN(C(=O)COC)CC4)ccn3)sc2n1.COCC(=O)N1CCC(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.O=C1CCCN1Cc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.O=C1CCCN1Cc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.c1cc(-c2ccc3nc(Nc4cc(CN5CCCC5)ccn4)sc3n2)ccn1.c1ncc(-c2ccc3nc(Nc4cc(CN5CCCC5)ccn4)sc3n2)cn1
• InChI: InChI=1S/C24H24N6O2S.C21H18N6OS.C21H20N6S.C20H19N7S.C20H24N6O2S.C19H17N7OS/c1-32-15-22(31)30-12-7-16(8-13-30)18-6-11-26-21(14-18)29-24-28-20-3-2-19(27-23(20)33-24)17-4-9-25-10-5-17;28-19-2-1-11-27(19)13-14-5-10-23-18(12-14)26-21-25-17-4-3-16(24-20(17)29-21)15-6-8-22-9-7-15;1-2-12-27(11-1)14-15-5-10-23-19(13-15)26-21-25-18-4-3-17(24-20(18)28-21)16-6-8-22-9-7-16;1-2-8-27(7-1)12-14-5-6-23-18(9-14)26-20-25-17-4-3-16(24-19(17)28-20)15-10-21-13-22-11-15;1-3-14-4-5-16-19(22-14)29-20(23-16)24-17-12-15(6-7-21-17)25-8-10-26(11-9-25)18(27)13-28-2;27-17-2-1-7-26(17)11-12-5-6-20-16(8-12)25-19-24-15-4-3-14(23-18(15)28-19)13-9-21-22-10-13/h2-6,9-11,14,16H,7-8,12-13,15H2,1H3,(H,26,28,29);3-10,12H,1-2,11,13H2,(H,23,25,26);3-10,13H,1-2,11-12,14H2,(H,23,25,26);3-6,9-11,13H,1-2,7-8,12H2,(H,23,25,26);4-7,12H,3,8-11,13H2,1-2H3,(H,21,23,24);3-6,8-10H,1-2,7,11H2,(H,21,22)(H,20,24,25)
• InChIKey: JTGHXJIAUHUTSQ-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 506.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 32
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.01
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The IUPAC name of 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 159017326) is 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

What is the SMILES notation for 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The canonical SMILES for 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCc1ccc2nc(Nc3cc(N4CCN(C(=O)COC)CC4)ccn3)sc2n1.COCC(=O)N1CCC(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.O=C1CCCN1Cc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.O=C1CCCN1Cc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1.c1cc(-c2ccc3nc(Nc4cc(CN5CCCC5)ccn4)sc3n2)ccn1.c1ncc(-c2ccc3nc(Nc4cc(CN5CCCC5)ccn4)sc3n2)cn1.

What is the InChIKey of 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The InChIKey is JTGHXJIAUHUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S.C21H18N6OS.C21H20N6S.C20H19N7S.C20H24N6O2S.C19H17N7OS/c1-32-15-22(31)30-12-7-16(8-13-30)18-6-11-26-21(14-18)29-24-28-20-3-2-19(27-23(20)33-24)17-4-9-25-10-5-17;28-19-2-1-11-27(19)13-14-5-10-23-18(12-14)26-21-25-17-4-3-16(24-20(17)29-21)15-6-8-22-9-7-15;1-2-12-27(11-1)14-15-5-10-23-19(13-15)26-21-25-18-4-3-17(24-20(18)28-21)16-6-8-22-9-7-16;1-2-8-27(7-1)12-14-5-6-23-18(9-14)26-20-25-17-4-3-16(24-19(17)28-20)15-10-21-13-22-11-15;1-3-14-4-5-16-19(22-14)29-20(23-16)24-17-12-15(6-7-21-17)25-8-10-26(11-9-25)18(27)13-28-2;27-17-2-1-7-26(17)11-12-5-6-20-16(8-12)25-19-24-15-4-3-14(23-18(15)28-19)13-9-21-22-10-13/h2-6,9-11,14,16H,7-8,12-13,15H2,1H3,(H,26,28,29);3-10,12H,1-2,11,13H2,(H,23,25,26);3-10,13H,1-2,11-12,14H2,(H,23,25,26);3-6,9-11,13H,1-2,7-8,12H2,(H,23,25,26);4-7,12H,3,8-11,13H2,1-2H3,(H,21,23,24);3-6,8-10H,1-2,7,11H2,(H,21,22)(H,20,24,25).

What are the key properties of 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?

1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 2445.01 g/mol, XLogP of 22.66, 32 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 159017326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).