azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene

C19H18F3NOS — CID 69253800

IUPACazane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene
SMILESCc1ccc(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1.N
InChIInChI=1S/C19H15F3OS.H3N/c1-13-7-9-15(10-8-13)23-12-16-11-17(14-5-3-2-4-6-14)18(24-16)19(20,21)22;/h2-11H,12H2,1H3;1H3
InChIKeyPUWJLXNECORJJV-UHFFFAOYSA-N
MW365.42 g/mol
LogP6.48
Rot. Bonds4

About azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene

azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene (PubChem CID 69253800) has the molecular formula C19H18F3NOS and a molecular weight of 365.42 g/mol. Its IUPAC name is azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Nameazane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene
PubChem CID69253800
Molecular FormulaC19H18F3NOS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Nameazane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene
SMILESCc1ccc(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1.N
InChIInChI=1S/C19H15F3OS.H3N/c1-13-7-9-15(10-8-13)23-12-16-11-17(14-5-3-2-4-6-14)18(24-16)19(20,21)22;/h2-11H,12H2,1H3;1H3
InChIKeyPUWJLXNECORJJV-UHFFFAOYSA-N
XLogP6.48
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.42
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene 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 azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene?
The IUPAC name of azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene (CID 69253800) is azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene.
What is the SMILES notation for azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene?
The canonical SMILES for azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene is Cc1ccc(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1.N.
What is the InChIKey of azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene?
The InChIKey is PUWJLXNECORJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3OS.H3N/c1-13-7-9-15(10-8-13)23-12-16-11-17(14-5-3-2-4-6-14)18(24-16)19(20,21)22;/h2-11H,12H2,1H3;1H3.
What are the key properties of azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene?
azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene has a molecular weight of 365.42 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 69253800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).