3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid

C17H12FNO3S — CID 19901155

IUPAC3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2csc(-c3ccccc3F)n2)c1
InChIInChI=1S/C17H12FNO3S/c18-15-7-2-1-6-14(15)16-19-12(10-23-16)9-22-13-5-3-4-11(8-13)17(20)21/h1-8,10H,9H2,(H,20,21)
InChIKeyNKOUBNBGUPPCDK-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.23
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid

3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid (PubChem CID 19901155) has the molecular formula C17H12FNO3S and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid
PubChem CID19901155
Molecular FormulaC17H12FNO3S
Molecular Weight329.35 g/mol
Exact Mass329.05
IUPAC Name3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2csc(-c3ccccc3F)n2)c1
InChIInChI=1S/C17H12FNO3S/c18-15-7-2-1-6-14(15)16-19-12(10-23-16)9-22-13-5-3-4-11(8-13)17(20)21/h1-8,10H,9H2,(H,20,21)
InChIKeyNKOUBNBGUPPCDK-UHFFFAOYSA-N
XLogP4.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sodium 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 23672769
2-(3,4-Diethoxyphenyl)-4-(3-carboxyphenyl)thiazole
CID 10451740
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]benzenecarboxylic acid
CID 1483723
4-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]benzoic acid
CID 10429181
(2E)-2-[[2-[[4-(trifluoromethyl)phenyl]methoxy]-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methylidene]hexanoic acid
CID 118726948
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate
CID 2393742
4-Hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester
CID 2399726
4-[4-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]benzoic acid
CID 25117748
3-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzoic acid
CID 7131859
3-(1,3-Thiazol-4-ylmethoxy)benzoic acid
CID 7131861
[2-(3-Phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 2079389
[4-(3-Fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol
CID 46943926

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid (CID 19901155) is 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid is O=C(O)c1cccc(OCc2csc(-c3ccccc3F)n2)c1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid?
The InChIKey is NKOUBNBGUPPCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3S/c18-15-7-2-1-6-14(15)16-19-12(10-23-16)9-22-13-5-3-4-11(8-13)17(20)21/h1-8,10H,9H2,(H,20,21).
What are the key properties of 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid?
3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid has a molecular weight of 329.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid is sourced from PubChem (CID 19901155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).