1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea

C21H18FN3OS — CID 4200590

IUPAC1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
SMILESFc1ccc(NC(=S)NN=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18FN3OS/c22-18-8-10-19(11-9-18)24-21(27)25-23-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,24,25,27)
InChIKeyZRSUDFVXPVFPDZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.73
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea

1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea (PubChem CID 4200590) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
PubChem CID4200590
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Name1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
SMILESFc1ccc(NC(=S)NN=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18FN3OS/c22-18-8-10-19(11-9-18)24-21(27)25-23-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,24,25,27)
InChIKeyZRSUDFVXPVFPDZ-UHFFFAOYSA-N
XLogP4.73
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-(4-fluorophenyl)-3-[(E)-(4-phenoxyphenyl)methylideneamino]thiourea
CID 56971231
1-(2-methylphenyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7933527
1-[(4-fluorophenyl)methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 2210967
1-phenyl-3-[[4-[[6-[[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]methylideneamino]thiourea
CID 5471837
1-(2,3-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4024550
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
1-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-phenylthiourea
CID 56693861
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
1-(4-methoxyphenyl)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 3403328
1-(3-chlorophenyl)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 3375542

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea (CID 4200590) is 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea is Fc1ccc(NC(=S)NN=Cc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea?
The InChIKey is ZRSUDFVXPVFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c22-18-8-10-19(11-9-18)24-21(27)25-23-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,24,25,27).
What are the key properties of 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea?
1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea has a molecular weight of 379.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 4200590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).