4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C10H5F5N2S — CID 58026105

IUPAC4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2c(F)cc(F)cc2C(F)(F)F)cs1
InChIInChI=1S/C10H5F5N2S/c11-4-1-5(10(13,14)15)8(6(12)2-4)7-3-18-9(16)17-7/h1-3H,(H2,16,17)
InChIKeyXHHIAYCMINQDCL-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.69
Rot. Bonds1

About 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58026105) has the molecular formula C10H5F5N2S and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID58026105
Molecular FormulaC10H5F5N2S
Molecular Weight280.22 g/mol
Exact Mass280.01
IUPAC Name4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2c(F)cc(F)cc2C(F)(F)F)cs1
InChIInChI=1S/C10H5F5N2S/c11-4-1-5(10(13,14)15)8(6(12)2-4)7-3-18-9(16)17-7/h1-3H,(H2,16,17)
InChIKeyXHHIAYCMINQDCL-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2,4-difluoro-6-(trifluoromethyl)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-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 58026105) is 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2c(F)cc(F)cc2C(F)(F)F)cs1.
What is the InChIKey of 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is XHHIAYCMINQDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2S/c11-4-1-5(10(13,14)15)8(6(12)2-4)7-3-18-9(16)17-7/h1-3H,(H2,16,17).
What are the key properties of 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 280.22 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58026105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).