4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide

C114H123Cl6N33O7S6 — CID 172923422

About 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide

4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide (PubChem CID 172923422) has the molecular formula C114H123Cl6N33O7S6 and a molecular weight of 2472.58 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide.

Molecular Properties

• Compound Name: 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide
• PubChem CID: 172923422
• Molecular Formula: C114H123Cl6N33O7S6
• Molecular Weight: 2472.58 g/mol
• Exact Mass: 2467.67
• IUPAC Name: 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide
• SMILES: Cc1cccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)c1.Nc1ccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)cc1.Nc1cccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)c1.Oc1ccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)cc1.S=C(N/N=C1/CCOc2c(Cl)ccnc21)N1CCN(c2ccccc2)CC1.S=C(N/N=C1/CCOc2c(Cl)ccnc21)N1CCN(c2cccnc2)CC1
• InChI: InChI=1S/C20H22ClN5OS.2C19H21ClN6OS.C19H20ClN5O2S.C19H20ClN5OS.C18H19ClN6OS/c1-14-3-2-4-15(13-14)25-8-10-26(11-9-25)20(28)24-23-17-6-12-27-19-16(21)5-7-22-18(17)19;20-15-5-7-22-17-16(6-12-27-18(15)17)23-24-19(28)26-10-8-25(9-11-26)14-3-1-13(21)2-4-14;20-15-4-6-22-17-16(5-11-27-18(15)17)23-24-19(28)26-9-7-25(8-10-26)14-3-1-2-13(21)12-14;20-15-5-7-21-17-16(6-12-27-18(15)17)22-23-19(28)25-10-8-24(9-11-25)13-1-3-14(26)4-2-13;20-15-6-8-21-17-16(7-13-26-18(15)17)22-23-19(27)25-11-9-24(10-12-25)14-4-2-1-3-5-14;19-14-3-6-21-16-15(4-11-26-17(14)16)22-23-18(27)25-9-7-24(8-10-25)13-2-1-5-20-12-13/h2-5,7,13H,6,8-12H2,1H3,(H,24,28);1-5,7H,6,8-12,21H2,(H,24,28);1-4,6,12H,5,7-11,21H2,(H,24,28);1-5,7,26H,6,8-12H2,(H,23,28);1-6,8H,7,9-13H2,(H,23,27);1-3,5-6,12H,4,7-11H2,(H,23,27)/b23-17-;2*23-16-;2*22-16-;22-15-
• InChIKey: KJOUCOYREBGEKX-BWTSFOMQSA-N
• XLogP: 16.08
• TPSA: 403.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 12
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.58
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide?

The IUPAC name of 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide (CID 172923422) is 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide.

What is the SMILES notation for 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide?

The canonical SMILES for 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide is Cc1cccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)c1.Nc1ccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)cc1.Nc1cccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)c1.Oc1ccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)cc1.S=C(N/N=C1/CCOc2c(Cl)ccnc21)N1CCN(c2ccccc2)CC1.S=C(N/N=C1/CCOc2c(Cl)ccnc21)N1CCN(c2cccnc2)CC1.

What is the InChIKey of 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide?

The InChIKey is KJOUCOYREBGEKX-BWTSFOMQSA-N. The full InChI is InChI=1S/C20H22ClN5OS.2C19H21ClN6OS.C19H20ClN5O2S.C19H20ClN5OS.C18H19ClN6OS/c1-14-3-2-4-15(13-14)25-8-10-26(11-9-25)20(28)24-23-17-6-12-27-19-16(21)5-7-22-18(17)19;20-15-5-7-22-17-16(6-12-27-18(15)17)23-24-19(28)26-10-8-25(9-11-26)14-3-1-13(21)2-4-14;20-15-4-6-22-17-16(5-11-27-18(15)17)23-24-19(28)26-9-7-25(8-10-26)14-3-1-2-13(21)12-14;20-15-5-7-21-17-16(6-12-27-18(15)17)22-23-19(28)25-10-8-24(9-11-25)13-1-3-14(26)4-2-13;20-15-6-8-21-17-16(7-13-26-18(15)17)22-23-19(27)25-11-9-24(10-12-25)14-4-2-1-3-5-14;19-14-3-6-21-16-15(4-11-26-17(14)16)22-23-18(27)25-9-7-24(8-10-25)13-2-1-5-20-12-13/h2-5,7,13H,6,8-12H2,1H3,(H,24,28);1-5,7H,6,8-12,21H2,(H,24,28);1-4,6,12H,5,7-11,21H2,(H,24,28);1-5,7,26H,6,8-12H2,(H,23,28);1-6,8H,7,9-13H2,(H,23,27);1-3,5-6,12H,4,7-11H2,(H,23,27)/b23-17-;2*23-16-;2*22-16-;22-15-.

What are the key properties of 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide?

4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide has a molecular weight of 2472.58 g/mol, XLogP of 16.08, 12 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 172923422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).