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

C17H14FN3OS — CID 23828631

IUPAC3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(O)c1
InChIInChI=1S/C17H14FN3OS/c1-19-17-21(20-10-12-3-2-4-15(22)9-12)16(11-23-17)13-5-7-14(18)8-6-13/h2-11,22H,1H3/b19-17-,20-10?
InChIKeyAYFDTXYVRNPTNJ-FCJVRLCASA-N
MW327.38 g/mol
LogP3.47
Rot. Bonds3

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

3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 23828631) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID23828631
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(O)c1
InChIInChI=1S/C17H14FN3OS/c1-19-17-21(20-10-12-3-2-4-15(22)9-12)16(11-23-17)13-5-7-14(18)8-6-13/h2-11,22H,1H3/b19-17-,20-10?
InChIKeyAYFDTXYVRNPTNJ-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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol (CID 23828631) is 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol is C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(O)c1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is AYFDTXYVRNPTNJ-FCJVRLCASA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-19-17-21(20-10-12-3-2-4-15(22)9-12)16(11-23-17)13-5-7-14(18)8-6-13/h2-11,22H,1H3/b19-17-,20-10?.
What are the key properties of 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
3-[[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 3-[[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 23828631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).