4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide

C97H133FN30O8S6 — CID 172965514

About 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide

4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide (PubChem CID 172965514) has the molecular formula C97H133FN30O8S6 and a molecular weight of 2058.73 g/mol. Its IUPAC name is 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide
• PubChem CID: 172965514
• Molecular Formula: C97H133FN30O8S6
• Molecular Weight: 2058.73 g/mol
• Exact Mass: 2056.92
• IUPAC Name: 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide
• SMILES: C=CN1CCN(C(=S)N/N=C2/CCOc3c(C)ccnc32)CC1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3c(C)ccnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCOc3c(C)ccnc32)CC1.Cc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.Cc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(CCF)CC1.Cc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(CCO)CC1
• InChI: InChI=1S/C17H23N5OS.C16H22FN5OS.C16H21N5O2S.C16H23N5O2S.C16H23N5OS.C16H21N5OS/c1-12-4-6-18-15-14(5-11-23-16(12)15)19-20-17(24)22-9-7-21(8-10-22)13-2-3-13;1-12-2-5-18-14-13(3-11-23-15(12)14)19-20-16(24)22-9-7-21(6-4-17)8-10-22;1-11-3-5-17-14-13(4-10-23-15(11)14)18-19-16(24)21-8-6-20(7-9-21)12(2)22;1-12-2-4-17-14-13(3-11-23-15(12)14)18-19-16(24)21-7-5-20(6-8-21)9-10-22;2*1-3-20-7-9-21(10-8-20)16(23)19-18-13-5-11-22-15-12(2)4-6-17-14(13)15/h4,6,13H,2-3,5,7-11H2,1H3,(H,20,24);2,5H,3-4,6-11H2,1H3,(H,20,24);3,5H,4,6-10H2,1-2H3,(H,19,24);2,4,22H,3,5-11H2,1H3,(H,19,24);4,6H,3,5,7-11H2,1-2H3,(H,19,23);3-4,6H,1,5,7-11H2,2H3,(H,19,23)/b19-14-;19-13-;4*18-13-
• InChIKey: ZBIWFVDLXWZBKM-RKHBTIGOSA-N
• XLogP: 7.05
• TPSA: 355.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.73
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide?

The IUPAC name of 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide (CID 172965514) is 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide.

What is the SMILES notation for 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide?

The canonical SMILES for 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide is C=CN1CCN(C(=S)N/N=C2/CCOc3c(C)ccnc32)CC1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3c(C)ccnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCOc3c(C)ccnc32)CC1.Cc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.Cc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(CCF)CC1.Cc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(CCO)CC1.

What is the InChIKey of 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide?

The InChIKey is ZBIWFVDLXWZBKM-RKHBTIGOSA-N. The full InChI is InChI=1S/C17H23N5OS.C16H22FN5OS.C16H21N5O2S.C16H23N5O2S.C16H23N5OS.C16H21N5OS/c1-12-4-6-18-15-14(5-11-23-16(12)15)19-20-17(24)22-9-7-21(8-10-22)13-2-3-13;1-12-2-5-18-14-13(3-11-23-15(12)14)19-20-16(24)22-9-7-21(6-4-17)8-10-22;1-11-3-5-17-14-13(4-10-23-15(11)14)18-19-16(24)21-8-6-20(7-9-21)12(2)22;1-12-2-4-17-14-13(3-11-23-15(12)14)18-19-16(24)21-7-5-20(6-8-21)9-10-22;2*1-3-20-7-9-21(10-8-20)16(23)19-18-13-5-11-22-15-12(2)4-6-17-14(13)15/h4,6,13H,2-3,5,7-11H2,1H3,(H,20,24);2,5H,3-4,6-11H2,1H3,(H,20,24);3,5H,4,6-10H2,1-2H3,(H,19,24);2,4,22H,3,5-11H2,1H3,(H,19,24);4,6H,3,5,7-11H2,1-2H3,(H,19,23);3-4,6H,1,5,7-11H2,2H3,(H,19,23)/b19-14-;19-13-;4*18-13-.

What are the key properties of 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide?

4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide has a molecular weight of 2058.73 g/mol, XLogP of 7.05, 13 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide is sourced from PubChem (CID 172965514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).