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

C19H17NO3S — CID 22688069

IUPAC2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cccc(Oc2ccc(-c3nc(CC(=O)O)cs3)cc2)c1C
InChIInChI=1S/C19H17NO3S/c1-12-4-3-5-17(13(12)2)23-16-8-6-14(7-9-16)19-20-15(11-24-19)10-18(21)22/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeySIWOTQBSSZHWQZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.85
Rot. Bonds5

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

2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 22688069) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID22688069
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cccc(Oc2ccc(-c3nc(CC(=O)O)cs3)cc2)c1C
InChIInChI=1S/C19H17NO3S/c1-12-4-3-5-17(13(12)2)23-16-8-6-14(7-9-16)19-20-15(11-24-19)10-18(21)22/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeySIWOTQBSSZHWQZ-UHFFFAOYSA-N
XLogP4.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[(2,3-dimethylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980523
2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991322
2-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987002
2-[2-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987102
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
2-[2-[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22680899
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid (CID 22688069) is 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid is Cc1cccc(Oc2ccc(-c3nc(CC(=O)O)cs3)cc2)c1C.
What is the InChIKey of 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is SIWOTQBSSZHWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-12-4-3-5-17(13(12)2)23-16-8-6-14(7-9-16)19-20-15(11-24-19)10-18(21)22/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 339.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,3-dimethylphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 22688069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).