4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

C24H20FN3O2S — CID 3425787

IUPAC4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1cc(C=NNc2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1
InChIInChI=1S/C24H20FN3O2S/c1-29-23-13-18(7-12-22(23)30-15-17-5-3-2-4-6-17)14-26-28-24-27-21(16-31-24)19-8-10-20(25)11-9-19/h2-14,16H,15H2,1H3,(H,27,28)
InChIKeyVDJBKAVGXYKTKC-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.98
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 3425787) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID3425787
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC Name4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1cc(C=NNc2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1
InChIInChI=1S/C24H20FN3O2S/c1-29-23-13-18(7-12-22(23)30-15-17-5-3-2-4-6-17)14-26-28-24-27-21(16-31-24)19-8-10-20(25)11-9-19/h2-14,16H,15H2,1H3,(H,27,28)
InChIKeyVDJBKAVGXYKTKC-UHFFFAOYSA-N
XLogP5.98
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129
N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576710
4-(2,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazol-2-amine
CID 4140219
N-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578755
N-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578617
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136869
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579122
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578469
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579126
4-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110529730
4-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 1184402

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 3425787) is 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is COc1cc(C=NNc2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is VDJBKAVGXYKTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c1-29-23-13-18(7-12-22(23)30-15-17-5-3-2-4-6-17)14-26-28-24-27-21(16-31-24)19-8-10-20(25)11-9-19/h2-14,16H,15H2,1H3,(H,27,28).
What are the key properties of 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 433.51 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 3425787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).