2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid

C8H13F3N2O3S — CID 3065220

IUPAC2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC1SCCN1C(=O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2OS.C2HF3O2/c1-5-8(2-3-10-5)6(9)4-7;3-2(4,5)1(6)7/h5H,2-4,7H2,1H3;(H,6,7)
InChIKeyKINHKSMRRBECHO-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.50
Rot. Bonds1

About 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid

2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 3065220) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID3065220
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC1SCCN1C(=O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2OS.C2HF3O2/c1-5-8(2-3-10-5)6(9)4-7;3-2(4,5)1(6)7/h5H,2-4,7H2,1H3;(H,6,7)
InChIKeyKINHKSMRRBECHO-UHFFFAOYSA-N
XLogP0.50
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid (CID 3065220) is 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid is CC1SCCN1C(=O)CN.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is KINHKSMRRBECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS.C2HF3O2/c1-5-8(2-3-10-5)6(9)4-7;3-2(4,5)1(6)7/h5H,2-4,7H2,1H3;(H,6,7).
What are the key properties of 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid?
2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 274.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-1,3-thiazolidin-3-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 3065220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).