3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol

C8H11F3N2OS — CID 79824740

IUPAC3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol
SMILESCC(N)C(O)(Cc1nccs1)C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-5(12)7(14,8(9,10)11)4-6-13-2-3-15-6/h2-3,5,14H,4,12H2,1H3
InChIKeyZKDAESJQDYSIJO-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.33
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol

3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol (PubChem CID 79824740) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol
PubChem CID79824740
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol
SMILESCC(N)C(O)(Cc1nccs1)C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-5(12)7(14,8(9,10)11)4-6-13-2-3-15-6/h2-3,5,14H,4,12H2,1H3
InChIKeyZKDAESJQDYSIJO-UHFFFAOYSA-N
XLogP1.33
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol (CID 79824740) is 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol is CC(N)C(O)(Cc1nccs1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol?
The InChIKey is ZKDAESJQDYSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5(12)7(14,8(9,10)11)4-6-13-2-3-15-6/h2-3,5,14H,4,12H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol?
3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol has a molecular weight of 240.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)butan-2-ol is sourced from PubChem (CID 79824740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).