1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea

C15H10F5N3S — CID 17337971

IUPAC1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea
SMILESFc1ccc(NC(=S)N/N=C(/c2ccccc2)C(F)(F)F)c(F)c1
InChIInChI=1S/C15H10F5N3S/c16-10-6-7-12(11(17)8-10)21-14(24)23-22-13(15(18,19)20)9-4-2-1-3-5-9/h1-8H,(H2,21,23,24)/b22-13-
InChIKeySFLGLDIGBQXAGI-XKZIYDEJSA-N
MW359.32 g/mol
LogP4.22
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea

1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea (PubChem CID 17337971) has the molecular formula C15H10F5N3S and a molecular weight of 359.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea
PubChem CID17337971
Molecular FormulaC15H10F5N3S
Molecular Weight359.32 g/mol
Exact Mass359.05
IUPAC Name1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea
SMILESFc1ccc(NC(=S)N/N=C(/c2ccccc2)C(F)(F)F)c(F)c1
InChIInChI=1S/C15H10F5N3S/c16-10-6-7-12(11(17)8-10)21-14(24)23-22-13(15(18,19)20)9-4-2-1-3-5-9/h1-8H,(H2,21,23,24)/b22-13-
InChIKeySFLGLDIGBQXAGI-XKZIYDEJSA-N
XLogP4.22
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]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

1-[(Z)-1-(2-bromophenyl)ethylideneamino]-3-(2,4-difluorophenyl)thiourea
CID 6055009
1-(2,4-difluorophenyl)-3-methylthiourea
CID 2729992
1-(2,4-difluorophenyl)-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 17337728
1-(2-benzylbutyl)-3-(2,4-difluorophenyl)thiourea
CID 133154635
1-(2,4-difluorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]thiourea
CID 27484864
5-bromo-N-[3-[(Z)-N-[(2,4-difluorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 28693402
1-(2,4-difluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512962
1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
CID 7933653
1-(4-bromophenyl)-3-(2,4-difluorophenyl)thiourea
CID 683119
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 19648747
1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237672
1-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 7612887

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea (CID 17337971) is 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea is Fc1ccc(NC(=S)N/N=C(/c2ccccc2)C(F)(F)F)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea?
The InChIKey is SFLGLDIGBQXAGI-XKZIYDEJSA-N. The full InChI is InChI=1S/C15H10F5N3S/c16-10-6-7-12(11(17)8-10)21-14(24)23-22-13(15(18,19)20)9-4-2-1-3-5-9/h1-8H,(H2,21,23,24)/b22-13-.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea?
1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea has a molecular weight of 359.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]thiourea is sourced from PubChem (CID 17337971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).