N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine

C8H11F3N2S — CID 130637982

IUPACN-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCC(C)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-3-5(2)13-7-12-4-6(14-7)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyCTZLXKJYLLPPBG-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.37
Rot. Bonds3

About N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine

N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 130637982) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID130637982
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC NameN-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCC(C)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-3-5(2)13-7-12-4-6(14-7)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyCTZLXKJYLLPPBG-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 130637982) is N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is CCC(C)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is CTZLXKJYLLPPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-3-5(2)13-7-12-4-6(14-7)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 224.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130637982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).