2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

C17H19FN2O3S — CID 119955178

IUPAC2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H19FN2O3S/c1-3-11(2)20(9-16(22)23)15(21)8-14-10-24-17(19-14)12-5-4-6-13(18)7-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyUJITWRDAWOVROL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.20
Rot. Bonds7

About 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 119955178) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID119955178
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H19FN2O3S/c1-3-11(2)20(9-16(22)23)15(21)8-14-10-24-17(19-14)12-5-4-6-13(18)7-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyUJITWRDAWOVROL-UHFFFAOYSA-N
XLogP3.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[butan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 119955179
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-propylamino]acetic acid
CID 119204753
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
N-[1-(2,5-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 86926512
(2R)-5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-(2-methylpropyl)-4-oxopentanoic acid
CID 159025387
N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119657415
1-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540371
2-[butan-2-yl-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119954742
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441255
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 36617877
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 86977217

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 119955178) is 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)Cc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is UJITWRDAWOVROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-11(2)20(9-16(22)23)15(21)8-14-10-24-17(19-14)12-5-4-6-13(18)7-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 350.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 119955178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).