N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C25H23N3O3S — CID 168576710

IUPACN-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1COc1ccccc1OC
InChIInChI=1S/C25H23N3O3S/c1-29-22-13-12-18(14-20(22)16-31-24-11-7-6-10-23(24)30-2)15-26-28-25-27-21(17-32-25)19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,27,28)
InChIKeyKAEQPIIWWFUDBB-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.85
Rot. Bonds9

About N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168576710) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168576710
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1COc1ccccc1OC
InChIInChI=1S/C25H23N3O3S/c1-29-22-13-12-18(14-20(22)16-31-24-11-7-6-10-23(24)30-2)15-26-28-25-27-21(17-32-25)19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,27,28)
InChIKeyKAEQPIIWWFUDBB-UHFFFAOYSA-N
XLogP5.85
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579506
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579122
N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576858
N-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578134
N-[[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576686
4-(4-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3425787
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129
N-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578617
N-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578755
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579126
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578178
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168576710) is N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1COc1ccccc1OC.
What is the InChIKey of N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is KAEQPIIWWFUDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-29-22-13-12-18(14-20(22)16-31-24-11-7-6-10-23(24)30-2)15-26-28-25-27-21(17-32-25)19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,27,28).
What are the key properties of N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 445.54 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168576710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).