3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one

C8H11F3N2OS — CID 63312719

IUPAC3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(C(CN)C(F)(F)F)c1C
InChIInChI=1S/C8H11F3N2OS/c1-4-5(2)15-7(14)13(4)6(3-12)8(9,10)11/h6H,3,12H2,1-2H3
InChIKeySIOQDLQTPZKQOH-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.59
Rot. Bonds2

About 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one

3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312719) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312719
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(C(CN)C(F)(F)F)c1C
InChIInChI=1S/C8H11F3N2OS/c1-4-5(2)15-7(14)13(4)6(3-12)8(9,10)11/h6H,3,12H2,1-2H3
InChIKeySIOQDLQTPZKQOH-UHFFFAOYSA-N
XLogP1.59
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.59
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)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one (CID 63312719) is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(C(CN)C(F)(F)F)c1C.
What is the InChIKey of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is SIOQDLQTPZKQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-4-5(2)15-7(14)13(4)6(3-12)8(9,10)11/h6H,3,12H2,1-2H3.
What are the key properties of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.59, 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)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).