3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one

C6H7F3N2OS — CID 63312347

IUPAC3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one
SMILESNCC(n1ccsc1=O)C(F)(F)F
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)4(3-10)11-1-2-13-5(11)12/h1-2,4H,3,10H2
InChIKeyRTLUHABZNDMZGT-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.97
Rot. Bonds2

About 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one

3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one (PubChem CID 63312347) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one
PubChem CID63312347
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one
SMILESNCC(n1ccsc1=O)C(F)(F)F
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)4(3-10)11-1-2-13-5(11)12/h1-2,4H,3,10H2
InChIKeyRTLUHABZNDMZGT-UHFFFAOYSA-N
XLogP0.97
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one (CID 63312347) is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one is NCC(n1ccsc1=O)C(F)(F)F.
What is the InChIKey of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one?
The InChIKey is RTLUHABZNDMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)4(3-10)11-1-2-13-5(11)12/h1-2,4H,3,10H2.
What are the key properties of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one?
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one has a molecular weight of 212.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).