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

C16H15N3O2S — CID 135512415

IUPAC4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESCC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H15N3O2S/c1-2-17-16-19(14(11-22-16)15-4-3-9-21-15)18-10-12-5-7-13(20)8-6-12/h3-11,20H,2H2,1H3/b17-16-,18-10+
InChIKeyRNSWRCPMFKAFSC-UXEFFTOFSA-N
MW313.38 g/mol
LogP3.32
Rot. Bonds4

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

4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 135512415) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID135512415
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESCC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H15N3O2S/c1-2-17-16-19(14(11-22-16)15-4-3-9-21-15)18-10-12-5-7-13(20)8-6-12/h3-11,20H,2H2,1H3/b17-16-,18-10+
InChIKeyRNSWRCPMFKAFSC-UXEFFTOFSA-N
XLogP3.32
TPSA63.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol (CID 135512415) is 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol is CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is RNSWRCPMFKAFSC-UXEFFTOFSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-17-16-19(14(11-22-16)15-4-3-9-21-15)18-10-12-5-7-13(20)8-6-12/h3-11,20H,2H2,1H3/b17-16-,18-10+.
What are the key properties of 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol?
4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol has a molecular weight of 313.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135512415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).