5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C8H11F3N2S — CID 88877673

IUPAC5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1sc(N)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2S/c1-7(2,3)5-4(8(9,10)11)13-6(12)14-5/h1-3H3,(H2,12,13)
InChIKeyZNFKLRJPZDTZBG-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.04
Rot. Bonds

About 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 88877673) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID88877673
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1sc(N)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2S/c1-7(2,3)5-4(8(9,10)11)13-6(12)14-5/h1-3H3,(H2,12,13)
InChIKeyZNFKLRJPZDTZBG-UHFFFAOYSA-N
XLogP3.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 88877673) is 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)(C)c1sc(N)nc1C(F)(F)F.
What is the InChIKey of 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is ZNFKLRJPZDTZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-7(2,3)5-4(8(9,10)11)13-6(12)14-5/h1-3H3,(H2,12,13).
What are the key properties of 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 224.25 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 88877673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).