4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide

C119H161FN40O9S8 — CID 172964958

About 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide

4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide (PubChem CID 172964958) has the molecular formula C119H161FN40O9S8 and a molecular weight of 2571.40 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide
• PubChem CID: 172964958
• Molecular Formula: C119H161FN40O9S8
• Molecular Weight: 2571.40 g/mol
• Exact Mass: 2569.11
• IUPAC Name: 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide
• SMILES: C=CN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.CC(C)N1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.CN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.FCCN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.S=C(N/N=C1/CCOc2cccnc21)N1CCN(C2CC2)CC1.S=C(N/N=C1/CCOc2cccnc21)N1CCNCC1
• InChI: InChI=1S/C16H21N5OS.C16H23N5OS.C15H20FN5OS.C15H21N5O2S.C15H21N5OS.C15H19N5OS.C14H19N5OS.C13H17N5OS/c23-16(21-9-7-20(8-10-21)12-3-4-12)19-18-13-5-11-22-14-2-1-6-17-15(13)14;1-12(2)20-7-9-21(10-8-20)16(23)19-18-13-5-11-22-14-4-3-6-17-15(13)14;16-4-6-20-7-9-21(10-8-20)15(23)19-18-12-3-11-22-13-2-1-5-17-14(12)13;21-10-9-19-5-7-20(8-6-19)15(23)18-17-12-3-11-22-13-2-1-4-16-14(12)13;2*1-2-19-7-9-20(10-8-19)15(22)18-17-12-5-11-21-13-4-3-6-16-14(12)13;1-18-6-8-19(9-7-18)14(21)17-16-11-4-10-20-12-3-2-5-15-13(11)12;20-13(18-7-5-14-6-8-18)17-16-10-3-9-19-11-2-1-4-15-12(10)11/h1-2,6,12H,3-5,7-11H2,(H,19,23);3-4,6,12H,5,7-11H2,1-2H3,(H,19,23);1-2,5H,3-4,6-11H2,(H,19,23);1-2,4,21H,3,5-11H2,(H,18,23);3-4,6H,2,5,7-11H2,1H3,(H,18,22);2-4,6H,1,5,7-11H2,(H,18,22);2-3,5H,4,6-10H2,1H3,(H,17,21);1-2,4,14H,3,5-9H2,(H,17,20)/b2*18-13-;18-12-;3*17-12-;16-11-;16-10-
• InChIKey: IXXLLBBMURDRON-IVQWZCMESA-N
• XLogP: 7.10
• TPSA: 452.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 16
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2571.40
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

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-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide?

The IUPAC name of 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide (CID 172964958) is 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide.

What is the SMILES notation for 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide?

The canonical SMILES for 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide is C=CN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.CC(C)N1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.CN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.FCCN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3cccnc32)CC1.S=C(N/N=C1/CCOc2cccnc21)N1CCN(C2CC2)CC1.S=C(N/N=C1/CCOc2cccnc21)N1CCNCC1.

What is the InChIKey of 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide?

The InChIKey is IXXLLBBMURDRON-IVQWZCMESA-N. The full InChI is InChI=1S/C16H21N5OS.C16H23N5OS.C15H20FN5OS.C15H21N5O2S.C15H21N5OS.C15H19N5OS.C14H19N5OS.C13H17N5OS/c23-16(21-9-7-20(8-10-21)12-3-4-12)19-18-13-5-11-22-14-2-1-6-17-15(13)14;1-12(2)20-7-9-21(10-8-20)16(23)19-18-13-5-11-22-14-4-3-6-17-15(13)14;16-4-6-20-7-9-21(10-8-20)15(23)19-18-12-3-11-22-13-2-1-5-17-14(12)13;21-10-9-19-5-7-20(8-6-19)15(23)18-17-12-3-11-22-13-2-1-4-16-14(12)13;2*1-2-19-7-9-20(10-8-19)15(22)18-17-12-5-11-21-13-4-3-6-16-14(12)13;1-18-6-8-19(9-7-18)14(21)17-16-11-4-10-20-12-3-2-5-15-13(11)12;20-13(18-7-5-14-6-8-18)17-16-10-3-9-19-11-2-1-4-15-12(10)11/h1-2,6,12H,3-5,7-11H2,(H,19,23);3-4,6,12H,5,7-11H2,1-2H3,(H,19,23);1-2,5H,3-4,6-11H2,(H,19,23);1-2,4,21H,3,5-11H2,(H,18,23);3-4,6H,2,5,7-11H2,1H3,(H,18,22);2-4,6H,1,5,7-11H2,(H,18,22);2-3,5H,4,6-10H2,1H3,(H,17,21);1-2,4,14H,3,5-9H2,(H,17,20)/b2*18-13-;18-12-;3*17-12-;16-11-;16-10-.

What are the key properties of 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide?

4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide has a molecular weight of 2571.40 g/mol, XLogP of 7.10, 16 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-methylpiperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-propan-2-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 172964958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).