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

C8H11F3N2S — CID 171646336

IUPAC5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)Cc1sc(N)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2S/c1-4(2)3-5-6(8(9,10)11)13-7(12)14-5/h4H,3H2,1-2H3,(H2,12,13)
InChIKeyYXQWUMMAFNKBQY-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.94
Rot. Bonds2

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

5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 171646336) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID171646336
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)Cc1sc(N)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2S/c1-4(2)3-5-6(8(9,10)11)13-7(12)14-5/h4H,3H2,1-2H3,(H2,12,13)
InChIKeyYXQWUMMAFNKBQY-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 171646336) is 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)Cc1sc(N)nc1C(F)(F)F.
What is the InChIKey of 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is YXQWUMMAFNKBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-4(2)3-5-6(8(9,10)11)13-7(12)14-5/h4H,3H2,1-2H3,(H2,12,13).
What are the key properties of 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 224.25 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 171646336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).