4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

C23H18FN3OS — CID 2375683

IUPAC4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H18FN3OS/c1-25-23-27(22(16-29-23)18-10-12-19(24)13-11-18)26-15-17-6-5-9-21(14-17)28-20-7-3-2-4-8-20/h2-16H,1H3/b25-23-,26-15?
InChIKeyFLTZVRDYCNRTJS-MERYLAAMSA-N
MW403.48 g/mol
LogP5.56
Rot. Bonds5

About 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 2375683) has the molecular formula C23H18FN3OS and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID2375683
Molecular FormulaC23H18FN3OS
Molecular Weight403.48 g/mol
Exact Mass403.12
IUPAC Name4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H18FN3OS/c1-25-23-27(22(16-29-23)18-10-12-19(24)13-11-18)26-15-17-6-5-9-21(14-17)28-20-7-3-2-4-8-20/h2-16H,1H3/b25-23-,26-15?
InChIKeyFLTZVRDYCNRTJS-MERYLAAMSA-N
XLogP5.56
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 2375683) is 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is FLTZVRDYCNRTJS-MERYLAAMSA-N. The full InChI is InChI=1S/C23H18FN3OS/c1-25-23-27(22(16-29-23)18-10-12-19(24)13-11-18)26-15-17-6-5-9-21(14-17)28-20-7-3-2-4-8-20/h2-16H,1H3/b25-23-,26-15?.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 403.48 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-3-[(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 2375683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).