3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid

C19H17NO3S — CID 23159846

IUPAC3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(-c3nccs3)c2)cc1
InChIInChI=1S/C19H17NO3S/c21-18(22)9-6-14-4-7-17(8-5-14)23-13-15-2-1-3-16(12-15)19-20-10-11-24-19/h1-5,7-8,10-12H,6,9,13H2,(H,21,22)
InChIKeyJIOCCZBATKWFNI-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.41
Rot. Bonds7

About 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid

3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid (PubChem CID 23159846) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid
PubChem CID23159846
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(-c3nccs3)c2)cc1
InChIInChI=1S/C19H17NO3S/c21-18(22)9-6-14-4-7-17(8-5-14)23-13-15-2-1-3-16(12-15)19-20-10-11-24-19/h1-5,7-8,10-12H,6,9,13H2,(H,21,22)
InChIKeyJIOCCZBATKWFNI-UHFFFAOYSA-N
XLogP4.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-5-{3-[2-methoxy-4-(1,3-thiazol-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110483
2-[(1S)-5-{3-[2-propyl-4-(1,3-thiazol-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110482
3-(4-(5-(3-Cyano-4-isopropoxyphenyl)thiazol-2-yl)-3-methylphenyl)propanoic acid
CID 11654374
3-(Methyl-{3-[4-(4-thiazol-2-yl-phenoxy)-phenoxy]-propyl}-amino)-propionic acid
CID 10927769
3-(4-((R)-3-(4-ethyl-2-(thiazol-4-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11751021
3-(4-((R)-3-(4-ethyl-2-(thiazol-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 44439631
{Methyl-[2-(3-thiazol-2-yl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 44444281
4-[3-(2-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylphenyl]butanoic acid
CID 49848898
(+/-)-3-[4-(4'-Trifluoromethyl-biphenyl-3-ylmethoxy)-phenyl]-3-(thiazol-2-yl)-propionic acid
CID 59132613
3-(4-(2-(3-Cyano-4-isopropoxyphenyl)thiazol-5-yl)-3-methylphenyl)propanoic acid
CID 44412661
2-(5-(Thiazol-2-yl)biphenyl-2-yloxy)acetic acid
CID 54581774
(3S)-3-[3-(5-tert-butyl-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 86281674

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid (CID 23159846) is 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2cccc(-c3nccs3)c2)cc1.
What is the InChIKey of 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid?
The InChIKey is JIOCCZBATKWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-18(22)9-6-14-4-7-17(8-5-14)23-13-15-2-1-3-16(12-15)19-20-10-11-24-19/h1-5,7-8,10-12H,6,9,13H2,(H,21,22).
What are the key properties of 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid?
3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 339.42 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 23159846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).