N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one

C97H90N28O7S5 — CID 159233974

About N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one

N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one (PubChem CID 159233974) has the molecular formula C97H90N28O7S5 and a molecular weight of 1920.31 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one
• PubChem CID: 159233974
• Molecular Formula: C97H90N28O7S5
• Molecular Weight: 1920.31 g/mol
• Exact Mass: 1918.62
• IUPAC Name: N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCCCC(Nc2nccc(Nc3nc4ccc(Oc5ccccc5)nc4s3)n2)C1.Cn1cc(Nc2nc3ccc(Oc4ccccc4)nc3s2)cn1.Cn1ccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1.c1ccc(Oc2ccc3nc(Nc4cnn(C5CCNCC5)c4)sc3n2)cc1.c1ccc(Oc2ccc3nc(Nc4cnn(C5CCOCC5)c4)sc3n2)cc1
• InChI: InChI=1S/C25H25N7O2S.C20H20N6OS.C20H19N5O2S.2C16H13N5OS/c1-2-22(33)32-15-7-6-8-17(16-32)27-24-26-14-13-20(29-24)30-25-28-19-11-12-21(31-23(19)35-25)34-18-9-4-3-5-10-18;1-2-4-16(5-3-1)27-18-7-6-17-19(25-18)28-20(24-17)23-14-12-22-26(13-14)15-8-10-21-11-9-15;1-2-4-16(5-3-1)27-18-7-6-17-19(24-18)28-20(23-17)22-14-12-21-25(13-14)15-8-10-26-11-9-15;1-21-10-11(9-17-21)18-16-19-13-7-8-14(20-15(13)23-16)22-12-5-3-2-4-6-12;1-21-10-9-13(20-21)18-16-17-12-7-8-14(19-15(12)23-16)22-11-5-3-2-4-6-11/h2-5,9-14,17H,1,6-8,15-16H2,(H2,26,27,28,29,30);1-7,12-13,15,21H,8-11H2,(H,23,24);1-7,12-13,15H,8-11H2,(H,22,23);2-10H,1H3,(H,18,19);2-10H,1H3,(H,17,18,20)
• InChIKey: KTFYDLQIIXURBA-UHFFFAOYSA-N
• XLogP: 22.04
• TPSA: 385.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.31
LogP ≤ 5	22.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one?

The IUPAC name of N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one (CID 159233974) is N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one.

What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one?

The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCCC(Nc2nccc(Nc3nc4ccc(Oc5ccccc5)nc4s3)n2)C1.Cn1cc(Nc2nc3ccc(Oc4ccccc4)nc3s2)cn1.Cn1ccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1.c1ccc(Oc2ccc3nc(Nc4cnn(C5CCNCC5)c4)sc3n2)cc1.c1ccc(Oc2ccc3nc(Nc4cnn(C5CCOCC5)c4)sc3n2)cc1.

What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one?

The InChIKey is KTFYDLQIIXURBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S.C20H20N6OS.C20H19N5O2S.2C16H13N5OS/c1-2-22(33)32-15-7-6-8-17(16-32)27-24-26-14-13-20(29-24)30-25-28-19-11-12-21(31-23(19)35-25)34-18-9-4-3-5-10-18;1-2-4-16(5-3-1)27-18-7-6-17-19(25-18)28-20(24-17)23-14-12-22-26(13-14)15-8-10-21-11-9-15;1-2-4-16(5-3-1)27-18-7-6-17-19(24-18)28-20(23-17)22-14-12-21-25(13-14)15-8-10-26-11-9-15;1-21-10-11(9-17-21)18-16-19-13-7-8-14(20-15(13)23-16)22-12-5-3-2-4-6-12;1-21-10-9-13(20-21)18-16-17-12-7-8-14(19-15(12)23-16)22-11-5-3-2-4-6-11/h2-5,9-14,17H,1,6-8,15-16H2,(H2,26,27,28,29,30);1-7,12-13,15,21H,8-11H2,(H,23,24);1-7,12-13,15H,8-11H2,(H,22,23);2-10H,1H3,(H,18,19);2-10H,1H3,(H,17,18,20).

What are the key properties of N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one?

N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one has a molecular weight of 1920.31 g/mol, XLogP of 22.04, 25 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methylpyrazol-3-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(1-methylpyrazol-4-yl)-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[1-(oxan-4-yl)pyrazol-4-yl]-5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-phenoxy-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[3-[[4-[(5-phenoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]azepan-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159233974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).