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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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).