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

C12H11NO3S — CID 738083

IUPAC2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C12H11NO3S/c1-16-10-4-2-8(3-5-10)12-13-9(7-17-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyHWRQFRXTBPYUEK-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.45
Rot. Bonds4

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

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 738083) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID738083
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C12H11NO3S/c1-16-10-4-2-8(3-5-10)12-13-9(7-17-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyHWRQFRXTBPYUEK-UHFFFAOYSA-N
XLogP2.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic Acid
CID 1473790
Sodium 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 23672769
2-(4-Methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 4554836
4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
4-(2-Methyl-1,3-thiazol-4-yl)phenol
CID 591743
4-(4-Methoxy-phenyl)-2-(2-methyl-tetrahydro-pyran-4-yl)-thiazole
CID 16682543
2-[4-(4-Methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 772515
2-(2-(4-Methoxyphenyl)-4-phenylthiazol-5-yl)acetic acid
CID 46230233
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146427577
(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512035
Ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135509402
2-(4-Methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 2763565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid (CID 738083) is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid is COc1ccc(-c2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is HWRQFRXTBPYUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-16-10-4-2-8(3-5-10)12-13-9(7-17-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 249.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 738083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).