4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide

C97H139FN36O2S6 — CID 172957080

About 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide

4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide (PubChem CID 172957080) has the molecular formula C97H139FN36O2S6 and a molecular weight of 2052.83 g/mol. Its IUPAC name is 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide
• PubChem CID: 172957080
• Molecular Formula: C97H139FN36O2S6
• Molecular Weight: 2052.83 g/mol
• Exact Mass: 2051.02
• IUPAC Name: 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide
• SMILES: C=CN1CCN(C(=S)N/N=C2/CCNc3c(C)ccnc32)CC1.CC(=O)N1CCN(C(=S)N/N=C2/CCNc3c(C)ccnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCNc3c(C)ccnc32)CC1.Cc1ccnc2c1NCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.Cc1ccnc2c1NCC/C2=N/NC(=S)N1CCN(CCF)CC1.Cc1ccnc2c1NCC/C2=N/NC(=S)N1CCN(CCO)CC1
• InChI: InChI=1S/C17H24N6S.C16H23FN6S.C16H22N6OS.C16H24N6OS.C16H24N6S.C16H22N6S/c1-12-4-6-19-16-14(5-7-18-15(12)16)20-21-17(24)23-10-8-22(9-11-23)13-2-3-13;1-12-2-5-19-15-13(3-6-18-14(12)15)20-21-16(24)23-10-8-22(7-4-17)9-11-23;1-11-3-5-18-15-13(4-6-17-14(11)15)19-20-16(24)22-9-7-21(8-10-22)12(2)23;1-12-2-4-18-15-13(3-5-17-14(12)15)19-20-16(24)22-8-6-21(7-9-22)10-11-23;2*1-3-21-8-10-22(11-9-21)16(23)20-19-13-5-7-17-14-12(2)4-6-18-15(13)14/h4,6,13,18H,2-3,5,7-11H2,1H3,(H,21,24);2,5,18H,3-4,6-11H2,1H3,(H,21,24);3,5,17H,4,6-10H2,1-2H3,(H,20,24);2,4,17,23H,3,5-11H2,1H3,(H,20,24);4,6,17H,3,5,7-11H2,1-2H3,(H,20,23);3-4,6,17H,1,5,7-11H2,2H3,(H,20,23)/b20-14-;20-13-;4*19-13-
• InChIKey: HZZORDLJHAQGBU-SRPZVPRWSA-N
• XLogP: 7.25
• TPSA: 372.04 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.83
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	13
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-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide?

The IUPAC name of 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide (CID 172957080) is 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide.

What is the SMILES notation for 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide?

The canonical SMILES for 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide is C=CN1CCN(C(=S)N/N=C2/CCNc3c(C)ccnc32)CC1.CC(=O)N1CCN(C(=S)N/N=C2/CCNc3c(C)ccnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCNc3c(C)ccnc32)CC1.Cc1ccnc2c1NCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.Cc1ccnc2c1NCC/C2=N/NC(=S)N1CCN(CCF)CC1.Cc1ccnc2c1NCC/C2=N/NC(=S)N1CCN(CCO)CC1.

What is the InChIKey of 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide?

The InChIKey is HZZORDLJHAQGBU-SRPZVPRWSA-N. The full InChI is InChI=1S/C17H24N6S.C16H23FN6S.C16H22N6OS.C16H24N6OS.C16H24N6S.C16H22N6S/c1-12-4-6-19-16-14(5-7-18-15(12)16)20-21-17(24)23-10-8-22(9-11-23)13-2-3-13;1-12-2-5-19-15-13(3-6-18-14(12)15)20-21-16(24)23-10-8-22(7-4-17)9-11-23;1-11-3-5-18-15-13(4-6-17-14(11)15)19-20-16(24)22-9-7-21(8-10-22)12(2)23;1-12-2-4-18-15-13(3-5-17-14(12)15)19-20-16(24)22-8-6-21(7-9-22)10-11-23;2*1-3-21-8-10-22(11-9-21)16(23)20-19-13-5-7-17-14-12(2)4-6-18-15(13)14/h4,6,13,18H,2-3,5,7-11H2,1H3,(H,21,24);2,5,18H,3-4,6-11H2,1H3,(H,21,24);3,5,17H,4,6-10H2,1-2H3,(H,20,24);2,4,17,23H,3,5-11H2,1H3,(H,20,24);4,6,17H,3,5,7-11H2,1-2H3,(H,20,23);3-4,6,17H,1,5,7-11H2,2H3,(H,20,23)/b20-14-;20-13-;4*19-13-.

What are the key properties of 4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide?

4-acetyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide has a molecular weight of 2052.83 g/mol, XLogP of 7.25, 13 rotatable bonds, 13 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-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-fluoroethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(2-hydroxyethyl)-N-[(Z)-(8-methyl-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide is sourced from PubChem (CID 172957080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).