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

C7H9F3N2OS — CID 118545135

IUPAC2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1sc(N)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c1-6(2,13)4-3(7(8,9)10)12-5(11)14-4/h13H,1-2H3,(H2,11,12)
InChIKeyMUQZTNOIQDJGSK-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.97
Rot. Bonds1

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

2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 118545135) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID118545135
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1sc(N)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c1-6(2,13)4-3(7(8,9)10)12-5(11)14-4/h13H,1-2H3,(H2,11,12)
InChIKeyMUQZTNOIQDJGSK-UHFFFAOYSA-N
XLogP1.97
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 118545135) is 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol is CC(C)(O)c1sc(N)nc1C(F)(F)F.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is MUQZTNOIQDJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-6(2,13)4-3(7(8,9)10)12-5(11)14-4/h13H,1-2H3,(H2,11,12).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 226.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 118545135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).