[[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea

C18H19F2N5S — CID 76572529

IUPAC[[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc(N2CCN(c3cccc(F)c3)CC2)c(F)c1
InChIInChI=1S/C18H19F2N5S/c19-14-2-1-3-15(11-14)24-6-8-25(9-7-24)17-5-4-13(10-16(17)20)12-22-23-18(21)26/h1-5,10-12H,6-9H2,(H3,21,23,26)
InChIKeyMOMGLFZSTWMPQS-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.46
Rot. Bonds4

About [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea

[[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea (PubChem CID 76572529) has the molecular formula C18H19F2N5S and a molecular weight of 375.45 g/mol. Its IUPAC name is [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea
PubChem CID76572529
Molecular FormulaC18H19F2N5S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name[[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc(N2CCN(c3cccc(F)c3)CC2)c(F)c1
InChIInChI=1S/C18H19F2N5S/c19-14-2-1-3-15(11-14)24-6-8-25(9-7-24)17-5-4-13(10-16(17)20)12-22-23-18(21)26/h1-5,10-12H,6-9H2,(H3,21,23,26)
InChIKeyMOMGLFZSTWMPQS-UHFFFAOYSA-N
XLogP2.46
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[3-fluoro-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]methylideneamino]thiourea
CID 76572325
[[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-fluorophenyl]methylideneamino]thiourea
CID 76572363
[[3-fluoro-4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]methylideneamino]thiourea
CID 76572119
[(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3375039
[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methylideneamino]thiourea
CID 76572007
[(3-fluoro-4-phenylphenyl)methylideneamino]thiourea
CID 168534334
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
N-[4-[(carbamothioylhydrazinylidene)methyl]-2-fluorophenyl]acetamide
CID 3001792
[[4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]phenyl]methylideneamino]thiourea
CID 76572597
[(E)-[4-[(1S)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-fluorophenyl]methylideneamino]thiourea
CID 142921613
4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126132059
[4-[(carbamothioylhydrazinylidene)methyl]-2-methylphenyl]boronic acid
CID 168534349

Frequently Asked Questions

What is the IUPAC name of [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea?
The IUPAC name of [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea (CID 76572529) is [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea.
What is the SMILES notation for [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea?
The canonical SMILES for [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea is NC(=S)NN=Cc1ccc(N2CCN(c3cccc(F)c3)CC2)c(F)c1.
What is the InChIKey of [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea?
The InChIKey is MOMGLFZSTWMPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5S/c19-14-2-1-3-15(11-14)24-6-8-25(9-7-24)17-5-4-13(10-16(17)20)12-22-23-18(21)26/h1-5,10-12H,6-9H2,(H3,21,23,26).
What are the key properties of [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea?
[[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea has a molecular weight of 375.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-fluoro-4-[4-(3-fluorophenyl)piperazin-1-yl]phenyl]methylideneamino]thiourea is sourced from PubChem (CID 76572529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).