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

C17H17N3O3S — CID 6902639

IUPAC5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
SMILESCC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(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-PRUPWKLTSA-N
MW343.41 g/mol
LogP3.33
Rot. Bonds5

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

5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol (PubChem CID 6902639) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
PubChem CID6902639
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
SMILESCC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(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-PRUPWKLTSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The IUPAC name of 5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol (CID 6902639) is 5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The canonical SMILES for 5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol is CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1.
What is the InChIKey of 5-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
The InChIKey is PWHFANGZFYULQN-PRUPWKLTSA-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-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol?
5-[(E)-[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-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 6902639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).