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

C17H14FN3OS — CID 135573800

IUPAC4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C17H14FN3OS/c1-19-17-21(20-10-12-2-8-15(22)9-3-12)16(11-23-17)13-4-6-14(18)7-5-13/h2-11,22H,1H3/b19-17-,20-10?
InChIKeyNSNKSTIQZRNWMW-FCJVRLCASA-N
MW327.38 g/mol
LogP3.47
Rot. Bonds3

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

4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 135573800) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID135573800
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C17H14FN3OS/c1-19-17-21(20-10-12-2-8-15(22)9-3-12)16(11-23-17)13-4-6-14(18)7-5-13/h2-11,22H,1H3/b19-17-,20-10?
InChIKeyNSNKSTIQZRNWMW-FCJVRLCASA-N
XLogP3.47
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol (CID 135573800) is 4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol is C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is NSNKSTIQZRNWMW-FCJVRLCASA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-19-17-21(20-10-12-2-8-15(22)9-3-12)16(11-23-17)13-4-6-14(18)7-5-13/h2-11,22H,1H3/b19-17-,20-10?.
What are the key properties of 4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
4-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol has a molecular weight of 327.38 g/mol, XLogP of 3.47, 3 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-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135573800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).