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

C26H25N3O2S — CID 168576858

IUPACN-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCc1ccc(OCc2cc(C=NNc3nc(-c4ccccc4)cs3)ccc2OC)cc1
InChIInChI=1S/C26H25N3O2S/c1-3-19-9-12-23(13-10-19)31-17-22-15-20(11-14-25(22)30-2)16-27-29-26-28-24(18-32-26)21-7-5-4-6-8-21/h4-16,18H,3,17H2,1-2H3,(H,28,29)
InChIKeyCPDJUJKPLGNVCE-UHFFFAOYSA-N
MW443.57 g/mol
LogP6.41
Rot. Bonds9

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

N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168576858) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168576858
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC NameN-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCc1ccc(OCc2cc(C=NNc3nc(-c4ccccc4)cs3)ccc2OC)cc1
InChIInChI=1S/C26H25N3O2S/c1-3-19-9-12-23(13-10-19)31-17-22-15-20(11-14-25(22)30-2)16-27-29-26-28-24(18-32-26)21-7-5-4-6-8-21/h4-16,18H,3,17H2,1-2H3,(H,28,29)
InChIKeyCPDJUJKPLGNVCE-UHFFFAOYSA-N
XLogP6.41
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 56.41
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-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579506
N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576710
N-[[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576686
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-methylphenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579122
N-[[4-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577246
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129
N-[[4-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577109
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136869
ethyl 2-[2-[2-[[4-methoxy-3-(phenoxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623394
N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617598
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-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168576858) is N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCc1ccc(OCc2cc(C=NNc3nc(-c4ccccc4)cs3)ccc2OC)cc1.
What is the InChIKey of N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is CPDJUJKPLGNVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-3-19-9-12-23(13-10-19)31-17-22-15-20(11-14-25(22)30-2)16-27-29-26-28-24(18-32-26)21-7-5-4-6-8-21/h4-16,18H,3,17H2,1-2H3,(H,28,29).
What are the key properties of N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 443.57 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168576858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).