N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide

C19H20FN5OS — CID 126555815

IUPACN-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide
SMILESFc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20FN5OS/c20-15-6-8-21-17-16(7-13-26-18(15)17)22-23-19(27)25-11-9-24(10-12-25)14-4-2-1-3-5-14/h1-6,8H,7,9-13H2,(H,23,27)/b22-16-
InChIKeyBGEOWIBDFGAMOD-JWGURIENSA-N
MW385.47 g/mol
LogP2.40
Rot. Bonds2

About N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide

N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide (PubChem CID 126555815) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide
PubChem CID126555815
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC NameN-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide
SMILESFc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20FN5OS/c20-15-6-8-21-17-16(7-13-26-18(15)17)22-23-19(27)25-11-9-24(10-12-25)14-4-2-1-3-5-14/h1-6,8H,7,9-13H2,(H,23,27)/b22-16-
InChIKeyBGEOWIBDFGAMOD-JWGURIENSA-N
XLogP2.40
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide with MolForge

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Related Compounds

4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide
CID 135253729
N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-2-methyl-4-phenylpiperazine-1-carbothioamide
CID 135253728
N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide
CID 126556350
4-(3-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(4-aminophenyl)-N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-hydroxyphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyridin-3-ylpiperazine-1-carbothioamide
CID 172923422
4-(4-ethenylphenyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-(3-hydroxyphenyl)-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-pyrazin-2-ylpiperazine-1-carbothioamide;2-methyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide;3-methyl-N-[(Z)-(8-methyl-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide
CID 172950466
N-[(Z)-1-(4-fluoro-3-hydroxy-2-pyridinyl)propylideneamino]-4-phenylpiperazine-1-carbothioamide
CID 145255788
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
4-(3-hydroxyphenyl)-N-[(Z)-(1-prop-1-en-2-yl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide
CID 126555891
N-[(Z)-(1-acetyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-4-ylpiperazine-1-carbothioamide
CID 126555923
N-cyclopentyl-4-phenylpiperazine-1-carbothioamide
CID 892113
N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-(3-methylphenyl)piperazine-1-carbothioamide
CID 137086863
ethane;N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 145256005

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide?
The IUPAC name of N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide (CID 126555815) is N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide.
What is the SMILES notation for N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide?
The canonical SMILES for N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide is Fc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide?
The InChIKey is BGEOWIBDFGAMOD-JWGURIENSA-N. The full InChI is InChI=1S/C19H20FN5OS/c20-15-6-8-21-17-16(7-13-26-18(15)17)22-23-19(27)25-11-9-24(10-12-25)14-4-2-1-3-5-14/h1-6,8H,7,9-13H2,(H,23,27)/b22-16-.
What are the key properties of N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide?
N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide has a molecular weight of 385.47 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide is sourced from PubChem (CID 126555815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).