1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol

C8H11F3N2OS — CID 171646424

IUPAC1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1sc(N)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-3(2)4(14)5-6(8(9,10)11)13-7(12)15-5/h3-4,14H,1-2H3,(H2,12,13)
InChIKeyHMBLONCDJAZFPW-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.43
Rot. Bonds2

About 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol

1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol (PubChem CID 171646424) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol
PubChem CID171646424
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1sc(N)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-3(2)4(14)5-6(8(9,10)11)13-7(12)15-5/h3-4,14H,1-2H3,(H2,12,13)
InChIKeyHMBLONCDJAZFPW-UHFFFAOYSA-N
XLogP2.43
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol (CID 171646424) is 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol is CC(C)C(O)c1sc(N)nc1C(F)(F)F.
What is the InChIKey of 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol?
The InChIKey is HMBLONCDJAZFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-3(2)4(14)5-6(8(9,10)11)13-7(12)15-5/h3-4,14H,1-2H3,(H2,12,13).
What are the key properties of 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol?
1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol has a molecular weight of 240.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 171646424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).