2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid

C18H15NO4S — CID 20991322

IUPAC2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cccc(Oc2ccc(-c3nc(CC(=O)O)cs3)cc2)c1
InChIInChI=1S/C18H15NO4S/c1-22-15-3-2-4-16(10-15)23-14-7-5-12(6-8-14)18-19-13(11-24-18)9-17(20)21/h2-8,10-11H,9H2,1H3,(H,20,21)
InChIKeyPCHIDIYRPIZGTG-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.24
Rot. Bonds6

About 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 20991322) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID20991322
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cccc(Oc2ccc(-c3nc(CC(=O)O)cs3)cc2)c1
InChIInChI=1S/C18H15NO4S/c1-22-15-3-2-4-16(10-15)23-14-7-5-12(6-8-14)18-19-13(11-24-18)9-17(20)21/h2-8,10-11H,9H2,1H3,(H,20,21)
InChIKeyPCHIDIYRPIZGTG-UHFFFAOYSA-N
XLogP4.24
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22688069
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20987539
2-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987002
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991049
2-[2-[4-methoxy-3-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990950
(2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 29131429

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid (CID 20991322) is 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid is COc1cccc(Oc2ccc(-c3nc(CC(=O)O)cs3)cc2)c1.
What is the InChIKey of 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PCHIDIYRPIZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-22-15-3-2-4-16(10-15)23-14-7-5-12(6-8-14)18-19-13(11-24-18)9-17(20)21/h2-8,10-11H,9H2,1H3,(H,20,21).
What are the key properties of 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 341.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 20991322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).