2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C9H10F3N3O3S — CID 79798228

IUPAC2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)Cc1csc(N)n1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c1-8(6(17)18,9(10,11)12)15-5(16)2-4-3-19-7(13)14-4/h3H,2H2,1H3,(H2,13,14)(H,15,16)(H,17,18)
InChIKeyDNZHAQZNVKQJHS-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.79
Rot. Bonds4

About 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798228) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798228
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)Cc1csc(N)n1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c1-8(6(17)18,9(10,11)12)15-5(16)2-4-3-19-7(13)14-4/h3H,2H2,1H3,(H2,13,14)(H,15,16)(H,17,18)
InChIKeyDNZHAQZNVKQJHS-UHFFFAOYSA-N
XLogP0.79
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid with MolForge

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Related Compounds

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid
CID 64685300
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798918
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
2-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430327
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
CID 103461497
2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide
CID 20795943
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104761336
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 62799959
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276823
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798228) is 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(=O)Cc1csc(N)n1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is DNZHAQZNVKQJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c1-8(6(17)18,9(10,11)12)15-5(16)2-4-3-19-7(13)14-4/h3H,2H2,1H3,(H2,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 297.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).