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

C117H126Cl6N32O7S6 — CID 172948141

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

N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide (PubChem CID 172948141) has the molecular formula C117H126Cl6N32O7S6 and a molecular weight of 2497.63 g/mol. Its IUPAC name is N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide.

Molecular Properties

• Compound Name: N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide
• PubChem CID: 172948141
• Molecular Formula: C117H126Cl6N32O7S6
• Molecular Weight: 2497.63 g/mol
• Exact Mass: 2492.69
• IUPAC Name: N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide
• SMILES: C=Cc1ccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)cc1.CC1CN(C(=S)N/N=C2/CCOc3c(Cl)ccnc32)CCN1c1ccccc1.CC1CN(c2ccccc2)CCN1C(=S)N/N=C1/CCOc2c(Cl)ccnc21.Cc1ccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)cc1.Oc1cccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)c1.S=C(N/N=C1/CCOc2c(Cl)ccnc21)N1CCN(c2cnccn2)CC1
• InChI: InChI=1S/C21H22ClN5OS.3C20H22ClN5OS.C19H20ClN5O2S.C17H18ClN7OS/c1-2-15-3-5-16(6-4-15)26-10-12-27(13-11-26)21(29)25-24-18-8-14-28-20-17(22)7-9-23-19(18)20;1-14-2-4-15(5-3-14)25-9-11-26(12-10-25)20(28)24-23-17-7-13-27-19-16(21)6-8-22-18(17)19;1-14-13-25(10-11-26(14)15-5-3-2-4-6-15)20(28)24-23-17-8-12-27-19-16(21)7-9-22-18(17)19;1-14-13-25(15-5-3-2-4-6-15)10-11-26(14)20(28)24-23-17-8-12-27-19-16(21)7-9-22-18(17)19;20-15-4-6-21-17-16(5-11-27-18(15)17)22-23-19(28)25-9-7-24(8-10-25)13-2-1-3-14(26)12-13;18-12-1-3-21-15-13(2-10-26-16(12)15)22-23-17(27)25-8-6-24(7-9-25)14-11-19-4-5-20-14/h2-7,9H,1,8,10-14H2,(H,25,29);2-6,8H,7,9-13H2,1H3,(H,24,28);2*2-7,9,14H,8,10-13H2,1H3,(H,24,28);1-4,6,12,26H,5,7-11H2,(H,23,28);1,3-5,11H,2,6-10H2,(H,23,27)/b24-18-;3*23-17-;22-16-;22-13-
• InChIKey: ZHABQJCKGBWLFI-SNNGMQNVSA-N
• XLogP: 17.73
• TPSA: 363.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.63
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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 N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide?

The IUPAC name of N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide (CID 172948141) is N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide.

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

The canonical SMILES for N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide is C=Cc1ccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)cc1.CC1CN(C(=S)N/N=C2/CCOc3c(Cl)ccnc32)CCN1c1ccccc1.CC1CN(c2ccccc2)CCN1C(=S)N/N=C1/CCOc2c(Cl)ccnc21.Cc1ccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)cc1.Oc1cccc(N2CCN(C(=S)N/N=C3/CCOc4c(Cl)ccnc43)CC2)c1.S=C(N/N=C1/CCOc2c(Cl)ccnc21)N1CCN(c2cnccn2)CC1.

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

The InChIKey is ZHABQJCKGBWLFI-SNNGMQNVSA-N. The full InChI is InChI=1S/C21H22ClN5OS.3C20H22ClN5OS.C19H20ClN5O2S.C17H18ClN7OS/c1-2-15-3-5-16(6-4-15)26-10-12-27(13-11-26)21(29)25-24-18-8-14-28-20-17(22)7-9-23-19(18)20;1-14-2-4-15(5-3-14)25-9-11-26(12-10-25)20(28)24-23-17-7-13-27-19-16(21)6-8-22-18(17)19;1-14-13-25(10-11-26(14)15-5-3-2-4-6-15)20(28)24-23-17-8-12-27-19-16(21)7-9-22-18(17)19;1-14-13-25(15-5-3-2-4-6-15)10-11-26(14)20(28)24-23-17-8-12-27-19-16(21)7-9-22-18(17)19;20-15-4-6-21-17-16(5-11-27-18(15)17)22-23-19(28)25-9-7-24(8-10-25)13-2-1-3-14(26)12-13;18-12-1-3-21-15-13(2-10-26-16(12)15)22-23-17(27)25-8-6-24(7-9-25)14-11-19-4-5-20-14/h2-7,9H,1,8,10-14H2,(H,25,29);2-6,8H,7,9-13H2,1H3,(H,24,28);2*2-7,9,14H,8,10-13H2,1H3,(H,24,28);1-4,6,12,26H,5,7-11H2,(H,23,28);1,3-5,11H,2,6-10H2,(H,23,27)/b24-18-;3*23-17-;22-16-;22-13-.

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

N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide has a molecular weight of 2497.63 g/mol, XLogP of 17.73, 13 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 172948141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).