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

C10H5F5N2S — CID 58026080

IUPAC4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)c(F)c2C(F)(F)F)cs1
InChIInChI=1S/C10H5F5N2S/c11-5-2-1-4(6-3-18-9(16)17-6)7(8(5)12)10(13,14)15/h1-3H,(H2,16,17)
InChIKeyIEIGTVJVFSNVRM-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.69
Rot. Bonds1

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

4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58026080) has the molecular formula C10H5F5N2S and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID58026080
Molecular FormulaC10H5F5N2S
Molecular Weight280.22 g/mol
Exact Mass280.01
IUPAC Name4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)c(F)c2C(F)(F)F)cs1
InChIInChI=1S/C10H5F5N2S/c11-5-2-1-4(6-3-18-9(16)17-6)7(8(5)12)10(13,14)15/h1-3H,(H2,16,17)
InChIKeyIEIGTVJVFSNVRM-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

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Related Compounds

4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine
CID 112562188
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58026097
4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 134819109
4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline
CID 107935455
4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58026105
2-(9-azabicyclo[3.3.1]nonan-9-yl)-4-(2-tert-butyl-3,4-difluorophenyl)-1,3-thiazole
CID 174340239
4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 123395210
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 114909551
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-4-(2-tert-butyl-3,4-difluorophenyl)-1,3-thiazole
CID 174340204

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 58026080) is 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(F)c(F)c2C(F)(F)F)cs1.
What is the InChIKey of 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IEIGTVJVFSNVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2S/c11-5-2-1-4(6-3-18-9(16)17-6)7(8(5)12)10(13,14)15/h1-3H,(H2,16,17).
What are the key properties of 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[3,4-difluoro-2-(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-[3,4-difluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58026080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).