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

C18H15F2N3O2S — CID 2390235

IUPAC4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C18H15F2N3O2S/c1-21-18-23(22-10-12-2-6-14(24)7-3-12)16(11-26-18)13-4-8-15(9-5-13)25-17(19)20/h2-11,17,24H,1H3/b21-18-,22-10?
InChIKeyHYRRFLKWLZUUPI-HLUVLNGZSA-N
MW375.40 g/mol
LogP3.94
Rot. Bonds5

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

4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 2390235) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID2390235
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC Name4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C18H15F2N3O2S/c1-21-18-23(22-10-12-2-6-14(24)7-3-12)16(11-26-18)13-4-8-15(9-5-13)25-17(19)20/h2-11,17,24H,1H3/b21-18-,22-10?
InChIKeyHYRRFLKWLZUUPI-HLUVLNGZSA-N
XLogP3.94
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.94
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'}

Analyze 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol (CID 2390235) is 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol is C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(O)cc1.
What is the InChIKey of 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is HYRRFLKWLZUUPI-HLUVLNGZSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c1-21-18-23(22-10-12-2-6-14(24)7-3-12)16(11-26-18)13-4-8-15(9-5-13)25-17(19)20/h2-11,17,24H,1H3/b21-18-,22-10?.
What are the key properties of 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol has a molecular weight of 375.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 2390235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).