4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine

C16H12F2N2OS — CID 89438846

IUPAC4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESFc1ccc(OCc2csc(Nc3ccccc3)n2)c(F)c1
InChIInChI=1S/C16H12F2N2OS/c17-11-6-7-15(14(18)8-11)21-9-13-10-22-16(20-13)19-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,19,20)
InChIKeyKTELSXJSGTVSIL-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.74
Rot. Bonds5

About 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine

4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 89438846) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID89438846
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESFc1ccc(OCc2csc(Nc3ccccc3)n2)c(F)c1
InChIInChI=1S/C16H12F2N2OS/c17-11-6-7-15(14(18)8-11)21-9-13-10-22-16(20-13)19-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,19,20)
InChIKeyKTELSXJSGTVSIL-UHFFFAOYSA-N
XLogP4.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine 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-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine (CID 89438846) is 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine is Fc1ccc(OCc2csc(Nc3ccccc3)n2)c(F)c1.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is KTELSXJSGTVSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c17-11-6-7-15(14(18)8-11)21-9-13-10-22-16(20-13)19-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,19,20).
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine?
4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 318.35 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 89438846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).