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

C23H18FN3S — CID 2383837

IUPAC3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(F)cc1
InChIInChI=1S/C23H18FN3S/c1-25-23-27(26-15-17-7-13-21(24)14-8-17)22(16-28-23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-16H,1H3/b25-23-,26-15?
InChIKeyDKVBRPYOCDRYDZ-MERYLAAMSA-N
MW387.48 g/mol
LogP5.44
Rot. Bonds4

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

3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine (PubChem CID 2383837) has the molecular formula C23H18FN3S and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine
PubChem CID2383837
Molecular FormulaC23H18FN3S
Molecular Weight387.48 g/mol
Exact Mass387.12
IUPAC Name3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(F)cc1
InChIInChI=1S/C23H18FN3S/c1-25-23-27(26-15-17-7-13-21(24)14-8-17)22(16-28-23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-16H,1H3/b25-23-,26-15?
InChIKeyDKVBRPYOCDRYDZ-MERYLAAMSA-N
XLogP5.44
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-benzyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 6163400
(E)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
CID 9668546
4-(2-Fluorophenyl)-3-{[(3-fluorophenyl)methylidene]amino}-N-methyl-1,3-thiazol-2(3H)-imine
CID 2380455
(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 6902624
4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-phenyl-2H-1,3-thiazete
CID 76324104
4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylphenyl)-2H-1,3-thiazete
CID 76334881
(Z)-4-(2-fluorophenyl)-3-[(Z)-(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5678863
3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338816
3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338988
3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2338989
4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2342348
3-(benzylideneamino)-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2365551

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine (CID 2383837) is 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The InChIKey is DKVBRPYOCDRYDZ-MERYLAAMSA-N. The full InChI is InChI=1S/C23H18FN3S/c1-25-23-27(26-15-17-7-13-21(24)14-8-17)22(16-28-23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-16H,1H3/b25-23-,26-15?.
What are the key properties of 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine has a molecular weight of 387.48 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-phenylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2383837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).