4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide

C104H135F5N34O9S7 — CID 172938172

IUPAC4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide
SMILESCC(=O)N1CCN(C(=S)N/N=C2/CCOc3cc(F)cnc32)CC1.CNC(=S)N/N=C1/CCOc2cc(F)cnc21.C[C@@H]1CN(C(=S)N/N=C2/CCOc3cc(F)cnc32)C[C@H](C)N1.Cc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCN2CCCCC2C1.Cc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCNC(C)C1.Fc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3cc(F)cnc32)CC1
InChIInChI=1S/C18H25N5OS.C16H20FN5OS.C15H18FN5O2S.C15H20FN5O2S.C15H20FN5OS.C15H21N5OS.C10H11FN4OS/c1-13-10-16-17(19-11-13)15(5-9-24-16)20-21-18(25)23-8-7-22-6-3-2-4-14(22)12-23;17-11-9-14-15(18-10-11)13(3-8-23-14)19-20-16(24)22-6-4-21(5-7-22)12-1-2-12;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;1-9-7-21(8-10(2)18-9)15(23)20-19-12-3-4-22-13-5-11(16)6-17-14(12)13;1-10-7-13-14(17-8-10)12(3-6-21-13)18-19-15(22)20-5-4-16-11(2)9-20;1-12-10(17)15-14-7-2-3-16-8-4-6(11)5-13-9(7)8/h10-11,14H,2-9,12H2,1H3,(H,21,25);9-10,12H,1-8H2,(H,20,24);8-9H,2-7H2,1H3,(H,19,24);9-10,22H,1-8H2,(H,19,24);5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,20,23);7-8,11,16H,3-6,9H2,1-2H3,(H,19,22);4-5H,2-3H2,1H3,(H2,12,15,17)/b20-15-;19-13-;2*18-12-;19-12-;18-12-;14-7-/t;;;;9-,10+;;
InChIKeyQGQGWLOVENVUME-XAPMCFBSSA-N
MW2324.91 g/mol
LogP7.33
Rot. Bonds10

About 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide

4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide (PubChem CID 172938172) has the molecular formula C104H135F5N34O9S7 and a molecular weight of 2324.91 g/mol. Its IUPAC name is 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide
PubChem CID172938172
Molecular FormulaC104H135F5N34O9S7
Molecular Weight2324.91 g/mol
Exact Mass2322.91
IUPAC Name4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide
SMILESCC(=O)N1CCN(C(=S)N/N=C2/CCOc3cc(F)cnc32)CC1.CNC(=S)N/N=C1/CCOc2cc(F)cnc21.C[C@@H]1CN(C(=S)N/N=C2/CCOc3cc(F)cnc32)C[C@H](C)N1.Cc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCN2CCCCC2C1.Cc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCNC(C)C1.Fc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3cc(F)cnc32)CC1
InChIInChI=1S/C18H25N5OS.C16H20FN5OS.C15H18FN5O2S.C15H20FN5O2S.C15H20FN5OS.C15H21N5OS.C10H11FN4OS/c1-13-10-16-17(19-11-13)15(5-9-24-16)20-21-18(25)23-8-7-22-6-3-2-4-14(22)12-23;17-11-9-14-15(18-10-11)13(3-8-23-14)19-20-16(24)22-6-4-21(5-7-22)12-1-2-12;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;1-9-7-21(8-10(2)18-9)15(23)20-19-12-3-4-22-13-5-11(16)6-17-14(12)13;1-10-7-13-14(17-8-10)12(3-6-21-13)18-19-15(22)20-5-4-16-11(2)9-20;1-12-10(17)15-14-7-2-3-16-8-4-6(11)5-13-9(7)8/h10-11,14H,2-9,12H2,1H3,(H,21,25);9-10,12H,1-8H2,(H,20,24);8-9H,2-7H2,1H3,(H,19,24);9-10,22H,1-8H2,(H,19,24);5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,20,23);7-8,11,16H,3-6,9H2,1-2H3,(H,19,22);4-5H,2-3H2,1H3,(H2,12,15,17)/b20-15-;19-13-;2*18-12-;19-12-;18-12-;14-7-/t;;;;9-,10+;;
InChIKeyQGQGWLOVENVUME-XAPMCFBSSA-N
XLogP7.33
TPSA431.36 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds10
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002324.91
LogP ≤ 57.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

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'}

Analyze 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide?
The IUPAC name of 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide (CID 172938172) is 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide.
What is the SMILES notation for 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide?
The canonical SMILES for 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide is CC(=O)N1CCN(C(=S)N/N=C2/CCOc3cc(F)cnc32)CC1.CNC(=S)N/N=C1/CCOc2cc(F)cnc21.C[C@@H]1CN(C(=S)N/N=C2/CCOc3cc(F)cnc32)C[C@H](C)N1.Cc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCN2CCCCC2C1.Cc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCNC(C)C1.Fc1cnc2c(c1)OCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3cc(F)cnc32)CC1.
What is the InChIKey of 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide?
The InChIKey is QGQGWLOVENVUME-XAPMCFBSSA-N. The full InChI is InChI=1S/C18H25N5OS.C16H20FN5OS.C15H18FN5O2S.C15H20FN5O2S.C15H20FN5OS.C15H21N5OS.C10H11FN4OS/c1-13-10-16-17(19-11-13)15(5-9-24-16)20-21-18(25)23-8-7-22-6-3-2-4-14(22)12-23;17-11-9-14-15(18-10-11)13(3-8-23-14)19-20-16(24)22-6-4-21(5-7-22)12-1-2-12;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;1-9-7-21(8-10(2)18-9)15(23)20-19-12-3-4-22-13-5-11(16)6-17-14(12)13;1-10-7-13-14(17-8-10)12(3-6-21-13)18-19-15(22)20-5-4-16-11(2)9-20;1-12-10(17)15-14-7-2-3-16-8-4-6(11)5-13-9(7)8/h10-11,14H,2-9,12H2,1H3,(H,21,25);9-10,12H,1-8H2,(H,20,24);8-9H,2-7H2,1H3,(H,19,24);9-10,22H,1-8H2,(H,19,24);5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,20,23);7-8,11,16H,3-6,9H2,1-2H3,(H,19,22);4-5H,2-3H2,1H3,(H2,12,15,17)/b20-15-;19-13-;2*18-12-;19-12-;18-12-;14-7-/t;;;;9-,10+;;.
What are the key properties of 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide?
4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide has a molecular weight of 2324.91 g/mol, XLogP of 7.33, 10 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;(3S,5R)-N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide;N-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide;1-[(Z)-(7-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-3-methylthiourea;N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide;3-methyl-N-[(Z)-(7-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide is sourced from PubChem (CID 172938172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).