2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3N3O3S — CID 79258533

IUPAC2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)Nc1nccs1)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c10-9(11,12)5-15(4-7(17)18)3-6(16)14-8-13-1-2-19-8/h1-2H,3-5H2,(H,17,18)(H,13,14,16)
InChIKeyROIWOKKZFOZGAN-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.03
Rot. Bonds6

About 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258533) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258533
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)Nc1nccs1)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c10-9(11,12)5-15(4-7(17)18)3-6(16)14-8-13-1-2-19-8/h1-2H,3-5H2,(H,17,18)(H,13,14,16)
InChIKeyROIWOKKZFOZGAN-UHFFFAOYSA-N
XLogP1.03
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 79661188
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3420321
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3528665
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
2-[prop-2-ynyl(1,3-thiazol-2-ylcarbamoyl)amino]acetic acid
CID 79274575

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258533) is 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(=O)Nc1nccs1)CC(F)(F)F.
What is the InChIKey of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ROIWOKKZFOZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c10-9(11,12)5-15(4-7(17)18)3-6(16)14-8-13-1-2-19-8/h1-2H,3-5H2,(H,17,18)(H,13,14,16).
What are the key properties of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 297.26 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).