2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid

C19H17NO3S — CID 4980882

IUPAC2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCOc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H17NO3S/c21-19(22)12-16-13-24-18(20-16)10-11-23-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,22)
InChIKeyCPFRPXKTDRMOMK-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.06
Rot. Bonds7

About 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 4980882) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID4980882
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCOc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H17NO3S/c21-19(22)12-16-13-24-18(20-16)10-11-23-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,22)
InChIKeyCPFRPXKTDRMOMK-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(3-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82154388
2-[2-[4-(4-chlorophenoxy)butyl]-1,3-thiazol-4-yl]acetic acid
CID 82070583
2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745518
ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate
CID 45381899
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 46741059
2-[2-[2-(2,4,5-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82154399
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
2-[2-[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22680899
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 4980882) is 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CCOc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CPFRPXKTDRMOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-19(22)12-16-13-24-18(20-16)10-11-23-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,22).
What are the key properties of 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 339.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 4980882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).