[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate

C8H9F3N2O3S — CID 153327398

IUPAC[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate
SMILESCC(O)(COC(=O)C(F)(F)F)c1csc(N)n1
InChIInChI=1S/C8H9F3N2O3S/c1-7(15,4-2-17-6(12)13-4)3-16-5(14)8(9,10)11/h2,15H,3H2,1H3,(H2,12,13)
InChIKeyBGSNCFQEJRYUQQ-UHFFFAOYSA-N
MW270.23 g/mol
LogP1.04
Rot. Bonds3

About [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate

[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate (PubChem CID 153327398) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate
PubChem CID153327398
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC Name[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate
SMILESCC(O)(COC(=O)C(F)(F)F)c1csc(N)n1
InChIInChI=1S/C8H9F3N2O3S/c1-7(15,4-2-17-6(12)13-4)3-16-5(14)8(9,10)11/h2,15H,3H2,1H3,(H2,12,13)
InChIKeyBGSNCFQEJRYUQQ-UHFFFAOYSA-N
XLogP1.04
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate
CID 138673569
3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one
CID 174520084
2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
CID 149444892
1-O-ethyl 5-O-methyl (2S)-2-(2-amino-1,3-thiazol-4-yl)-2-propylpentanedioate
CID 2055170
[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate
CID 174539726
methyl 2-(2-amino-1,3-thiazol-4-yl)-2-(4-chlorophenyl)propanoate
CID 169221923
1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol
CID 130571267
ethyl 2-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 103473378
2-(2-amino-1,3-thiazol-4-yl)-2-(2,2,2-trifluoroethoxyimino)acetic acid
CID 54296615
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798228
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
CID 14865019

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate (CID 153327398) is [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate is CC(O)(COC(=O)C(F)(F)F)c1csc(N)n1.
What is the InChIKey of [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate?
The InChIKey is BGSNCFQEJRYUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c1-7(15,4-2-17-6(12)13-4)3-16-5(14)8(9,10)11/h2,15H,3H2,1H3,(H2,12,13).
What are the key properties of [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate?
[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate has a molecular weight of 270.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 153327398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).