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

C15H15FN2O3S — CID 119223235

IUPAC2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)O
InChIInChI=1S/C15H15FN2O3S/c1-2-12(15(20)21)18-13(19)7-11-8-22-14(17-11)9-4-3-5-10(16)6-9/h3-6,8,12H,2,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyKGFAUWYBDMICOF-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.47
Rot. Bonds6

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

2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid (PubChem CID 119223235) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
PubChem CID119223235
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)O
InChIInChI=1S/C15H15FN2O3S/c1-2-12(15(20)21)18-13(19)7-11-8-22-14(17-11)9-4-3-5-10(16)6-9/h3-6,8,12H,2,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyKGFAUWYBDMICOF-UHFFFAOYSA-N
XLogP2.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18189684
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-hydroxyethyl)acetamide
CID 78823529
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
(2R)-5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-(2-methylpropyl)-4-oxopentanoic acid
CID 159025387
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119955178
(2R)-2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 124647486
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
(2S,3R)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 29131151

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid (CID 119223235) is 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid is CCC(NC(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)O.
What is the InChIKey of 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid?
The InChIKey is KGFAUWYBDMICOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-2-12(15(20)21)18-13(19)7-11-8-22-14(17-11)9-4-3-5-10(16)6-9/h3-6,8,12H,2,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid?
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid has a molecular weight of 322.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid is sourced from PubChem (CID 119223235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).