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

C10H5F5N2S — CID 58026097

IUPAC4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2c(F)cc(C(F)(F)F)cc2F)cs1
InChIInChI=1S/C10H5F5N2S/c11-5-1-4(10(13,14)15)2-6(12)8(5)7-3-18-9(16)17-7/h1-3H,(H2,16,17)
InChIKeyRAIHXAOFFZHZEA-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.69
Rot. Bonds1

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

4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58026097) has the molecular formula C10H5F5N2S and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID58026097
Molecular FormulaC10H5F5N2S
Molecular Weight280.22 g/mol
Exact Mass280.01
IUPAC Name4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2c(F)cc(C(F)(F)F)cc2F)cs1
InChIInChI=1S/C10H5F5N2S/c11-5-1-4(10(13,14)15)2-6(12)8(5)7-3-18-9(16)17-7/h1-3H,(H2,16,17)
InChIKeyRAIHXAOFFZHZEA-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

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Naphthyl)-1,3-thiazol-2-amine
CID 673702
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
2-Hydrazinyl-4-phenylthiazole
CID 98613
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 58026097) is 4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2c(F)cc(C(F)(F)F)cc2F)cs1.
What is the InChIKey of 4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is RAIHXAOFFZHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2S/c11-5-1-4(10(13,14)15)2-6(12)8(5)7-3-18-9(16)17-7/h1-3H,(H2,16,17).
What are the key properties of 4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[2,6-difluoro-4-(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-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58026097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).