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

C14H15NO5S — CID 43322559

IUPAC2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nc(CC(=O)O)cs2)c(OC)c1OC
InChIInChI=1S/C14H15NO5S/c1-18-10-5-4-9(12(19-2)13(10)20-3)14-15-8(7-21-14)6-11(16)17/h4-5,7H,6H2,1-3H3,(H,16,17)
InChIKeyOTCJGGZJGGMTKO-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.46
Rot. Bonds6

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

2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 43322559) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID43322559
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nc(CC(=O)O)cs2)c(OC)c1OC
InChIInChI=1S/C14H15NO5S/c1-18-10-5-4-9(12(19-2)13(10)20-3)14-15-8(7-21-14)6-11(16)17/h4-5,7H,6H2,1-3H3,(H,16,17)
InChIKeyOTCJGGZJGGMTKO-UHFFFAOYSA-N
XLogP2.46
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 63631665
2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 45492200
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(3-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 4980358
2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 103372970
2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 22682315
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
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
2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
CID 4874786
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid (CID 43322559) is 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid is COc1ccc(-c2nc(CC(=O)O)cs2)c(OC)c1OC.
What is the InChIKey of 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is OTCJGGZJGGMTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-18-10-5-4-9(12(19-2)13(10)20-3)14-15-8(7-21-14)6-11(16)17/h4-5,7H,6H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 309.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43322559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).