4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

C91H115Cl6FN30O8S6 — CID 172959665

About 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide (PubChem CID 172959665) has the molecular formula C91H115Cl6FN30O8S6 and a molecular weight of 2181.24 g/mol. Its IUPAC name is 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
• PubChem CID: 172959665
• Molecular Formula: C91H115Cl6FN30O8S6
• Molecular Weight: 2181.24 g/mol
• Exact Mass: 2176.60
• IUPAC Name: 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
• SMILES: C=CN1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.FCCN1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.S=C(N/N=C1/CCOc2cc(Cl)cnc21)N1CCN(C2CC2)CC1
• InChI: InChI=1S/C16H20ClN5OS.C15H19ClFN5OS.C15H18ClN5O2S.C15H20ClN5O2S.C15H20ClN5OS.C15H18ClN5OS/c17-11-9-14-15(18-10-11)13(3-8-23-14)19-20-16(24)22-6-4-21(5-7-22)12-1-2-12;16-11-9-13-14(18-10-11)12(1-8-23-13)19-20-15(24)22-6-4-21(3-2-17)5-7-22;1-10(22)20-3-5-21(6-4-20)15(24)19-18-12-2-7-23-13-8-11(16)9-17-14(12)13;16-11-9-13-14(17-10-11)12(1-8-23-13)18-19-15(24)21-4-2-20(3-5-21)6-7-22;2*1-2-20-4-6-21(7-5-20)15(23)19-18-12-3-8-22-13-9-11(16)10-17-14(12)13/h9-10,12H,1-8H2,(H,20,24);9-10H,1-8H2,(H,20,24);8-9H,2-7H2,1H3,(H,19,24);9-10,22H,1-8H2,(H,19,24);9-10H,2-8H2,1H3,(H,19,23);2,9-10H,1,3-8H2,(H,19,23)/b19-13-;19-12-;4*18-12-
• InChIKey: GSRNOLNZJXECBQ-XUHSTMTNSA-N
• XLogP: 9.12
• 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	2181.24
LogP ≤ 5	9.12
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)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?

The IUPAC name of 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide (CID 172959665) is 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide.

What is the SMILES notation for 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?

The canonical SMILES for 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide is C=CN1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.FCCN1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3cc(Cl)cnc32)CC1.S=C(N/N=C1/CCOc2cc(Cl)cnc21)N1CCN(C2CC2)CC1.

What is the InChIKey of 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?

The InChIKey is GSRNOLNZJXECBQ-XUHSTMTNSA-N. The full InChI is InChI=1S/C16H20ClN5OS.C15H19ClFN5OS.C15H18ClN5O2S.C15H20ClN5O2S.C15H20ClN5OS.C15H18ClN5OS/c17-11-9-14-15(18-10-11)13(3-8-23-14)19-20-16(24)22-6-4-21(5-7-22)12-1-2-12;16-11-9-13-14(18-10-11)12(1-8-23-13)19-20-15(24)22-6-4-21(3-2-17)5-7-22;1-10(22)20-3-5-21(6-4-20)15(24)19-18-12-2-7-23-13-8-11(16)9-17-14(12)13;16-11-9-13-14(17-10-11)12(1-8-23-13)18-19-15(24)21-4-2-20(3-5-21)6-7-22;2*1-2-20-4-6-21(7-5-20)15(23)19-18-12-3-8-22-13-9-11(16)10-17-14(12)13/h9-10,12H,1-8H2,(H,20,24);9-10H,1-8H2,(H,20,24);8-9H,2-7H2,1H3,(H,19,24);9-10,22H,1-8H2,(H,19,24);9-10H,2-8H2,1H3,(H,19,23);2,9-10H,1,3-8H2,(H,19,23)/b19-13-;19-12-;4*18-12-.

What are the key properties of 4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?

4-acetyl-N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide has a molecular weight of 2181.24 g/mol, XLogP of 9.12, 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)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-cyclopropylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethenylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-ethylpiperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide is sourced from PubChem (CID 172959665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).