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

C17H17N3O3S — CID 2366096

IUPAC5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
SMILESCC/N=c1\scc(-c2ccco2)n1N=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C17H17N3O3S/c1-3-18-17-20(13(11-24-17)15-5-4-8-23-15)19-10-12-6-7-16(22-2)14(21)9-12/h4-11,21H,3H2,1-2H3/b18-17-,19-10?
InChIKeyPWHFANGZFYULQN-OBPOFPIRSA-N
MW343.41 g/mol
LogP3.33
Rot. Bonds5

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

5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol (PubChem CID 2366096) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
PubChem CID2366096
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
SMILESCC/N=c1\scc(-c2ccco2)n1N=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C17H17N3O3S/c1-3-18-17-20(13(11-24-17)15-5-4-8-23-15)19-10-12-6-7-16(22-2)14(21)9-12/h4-11,21H,3H2,1-2H3/b18-17-,19-10?
InChIKeyPWHFANGZFYULQN-OBPOFPIRSA-N
XLogP3.33
TPSA72.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.33
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

5-[[2-ethylimino-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 23931194
5-ethoxy-2-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838883
2-bromo-4-[[4-(furan-2-yl)-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135718881
N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2459841
4-[[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135832353
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
N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23878510
4-[[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135723360
4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23734286
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 135580167
1-[[4-(2,5-dimethoxyphenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]naphthalen-2-ol
CID 135776075

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The IUPAC name of 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol (CID 2366096) is 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The canonical SMILES for 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol is CC/N=c1\scc(-c2ccco2)n1N=Cc1ccc(OC)c(O)c1.
What is the InChIKey of 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The InChIKey is PWHFANGZFYULQN-OBPOFPIRSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-18-17-20(13(11-24-17)15-5-4-8-23-15)19-10-12-6-7-16(22-2)14(21)9-12/h4-11,21H,3H2,1-2H3/b18-17-,19-10?.
What are the key properties of 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol has a molecular weight of 343.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 2366096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).