5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol

C24H23N3O3S — CID 23931194

IUPAC5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
SMILESCC/N=c1\scc(-c2ccc3cc(OC)ccc3c2)n1N=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C24H23N3O3S/c1-4-25-24-27(26-14-16-5-10-23(30-3)22(28)11-16)21(15-31-24)19-7-6-18-13-20(29-2)9-8-17(18)12-19/h5-15,28H,4H2,1-3H3/b25-24-,26-14?
InChIKeyYGPLBMYUHMVCDD-JACWKWRKSA-N
MW433.53 g/mol
LogP4.90
Rot. Bonds6

About 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol

5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol (PubChem CID 23931194) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
PubChem CID23931194
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
SMILESCC/N=c1\scc(-c2ccc3cc(OC)ccc3c2)n1N=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C24H23N3O3S/c1-4-25-24-27(26-14-16-5-10-23(30-3)22(28)11-16)21(15-31-24)19-7-6-18-13-20(29-2)9-8-17(18)12-19/h5-15,28H,4H2,1-3H3/b25-24-,26-14?
InChIKeyYGPLBMYUHMVCDD-JACWKWRKSA-N
XLogP4.90
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135600858
2-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135837564
5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 2366096
2-methoxy-5-[[4-(4-methylphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 23964685
4-[(E)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 135849485
1-[[4-(2,5-dimethoxyphenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]naphthalen-2-ol
CID 135776075
2,6-dibromo-4-[[4-(2,4-dimethoxyphenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135581145
2-ethoxy-4-[[4-(4-methoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135666205
5-[2-ethylimino-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 135775954
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2365286
N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine
CID 23736140
(E)-4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6905418

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The IUPAC name of 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol (CID 23931194) is 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The canonical SMILES for 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol is CC/N=c1\scc(-c2ccc3cc(OC)ccc3c2)n1N=Cc1ccc(OC)c(O)c1.
What is the InChIKey of 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The InChIKey is YGPLBMYUHMVCDD-JACWKWRKSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-4-25-24-27(26-14-16-5-10-23(30-3)22(28)11-16)21(15-31-24)19-7-6-18-13-20(29-2)9-8-17(18)12-19/h5-15,28H,4H2,1-3H3/b25-24-,26-14?.
What are the key properties of 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol has a molecular weight of 433.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 23931194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).