4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol

C19H16FN3OS — CID 135813515

IUPAC4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESC=CC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C19H16FN3OS/c1-2-11-21-19-23(22-12-14-3-9-17(24)10-4-14)18(13-25-19)15-5-7-16(20)8-6-15/h2-10,12-13,24H,1,11H2/b21-19-,22-12?
InChIKeyYWKBMWARBLSKII-UCTLZQNBSA-N
MW353.42 g/mol
LogP4.03
Rot. Bonds5

About 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol

4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 135813515) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID135813515
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESC=CC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C19H16FN3OS/c1-2-11-21-19-23(22-12-14-3-9-17(24)10-4-14)18(13-25-19)15-5-7-16(20)8-6-15/h2-10,12-13,24H,1,11H2/b21-19-,22-12?
InChIKeyYWKBMWARBLSKII-UCTLZQNBSA-N
XLogP4.03
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol (CID 135813515) is 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol is C=CC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is YWKBMWARBLSKII-UCTLZQNBSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-2-11-21-19-23(22-12-14-3-9-17(24)10-4-14)18(13-25-19)15-5-7-16(20)8-6-15/h2-10,12-13,24H,1,11H2/b21-19-,22-12?.
What are the key properties of 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol has a molecular weight of 353.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135813515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).