5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine

C5H3F5N2S — CID 130019284

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C5H3F5N2S/c6-4(7,5(8,9)10)2-1-12-3(11)13-2/h1H,(H2,11,12)
InChIKeySQJKZMLBJBUJKN-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.38
Rot. Bonds1

About 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine

5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine (PubChem CID 130019284) has the molecular formula C5H3F5N2S and a molecular weight of 218.15 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine
PubChem CID130019284
Molecular FormulaC5H3F5N2S
Molecular Weight218.15 g/mol
Exact Mass217.99
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C5H3F5N2S/c6-4(7,5(8,9)10)2-1-12-3(11)13-2/h1H,(H2,11,12)
InChIKeySQJKZMLBJBUJKN-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 13637167
2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
5-Ethyl-1,3-thiazol-2-amine
CID 12737257
5-tert-Butyl-1,3-thiazol-2-amine
CID 676485
5-(Trifluoromethyl)-1,3-thiazol-2-amine
CID 15388849
5-Propyl-1,3-thiazol-2-amine
CID 3282236
5-(Propan-2-yl)-1,3-thiazol-2-amine
CID 10486954
5-[2-(Dimethylamino)ethyl]-1,3-thiazol-2-amine
CID 12284087
5-[2-(Methylamino)ethyl]-1,3-thiazol-2-amine
CID 13637169
2-Thiazolamine, N-methyl-5-(trifluoromethyl)-
CID 11074029
5-(2-Aminoethyl)-1,3-thiazol-2-amine--hydrogen chloride (1/2)
CID 13637168
5-[2-(Dimethylamino)ethyl]-1,3-thiazol-2-amine dihydrochloride
CID 12284088

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine (CID 130019284) is 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine is Nc1ncc(C(F)(F)C(F)(F)F)s1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is SQJKZMLBJBUJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2S/c6-4(7,5(8,9)10)2-1-12-3(11)13-2/h1H,(H2,11,12).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine?
5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 218.15 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130019284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).