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

C13H11FN2O4S — CID 43092953

IUPAC2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)COc2cccc(F)c2)n1
InChIInChI=1S/C13H11FN2O4S/c14-8-2-1-3-10(4-8)20-6-11(17)16-13-15-9(7-21-13)5-12(18)19/h1-4,7H,5-6H2,(H,18,19)(H,15,16,17)
InChIKeyKWWSTJKONVVFGJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.93
Rot. Bonds6

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

2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 43092953) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID43092953
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)COc2cccc(F)c2)n1
InChIInChI=1S/C13H11FN2O4S/c14-8-2-1-3-10(4-8)20-6-11(17)16-13-15-9(7-21-13)5-12(18)19/h1-4,7H,5-6H2,(H,18,19)(H,15,16,17)
InChIKeyKWWSTJKONVVFGJ-UHFFFAOYSA-N
XLogP1.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82154388
ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2062144
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(3-fluorophenoxy)acetamide
CID 8800923
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170611
2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 106485075
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62688977
2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 55441913
2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16850140
2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155763
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
CID 42764865
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 33301638

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 43092953) is 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)COc2cccc(F)c2)n1.
What is the InChIKey of 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is KWWSTJKONVVFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c14-8-2-1-3-10(4-8)20-6-11(17)16-13-15-9(7-21-13)5-12(18)19/h1-4,7H,5-6H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 310.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43092953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).