2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid

C13H14N2O3S — CID 82069351

IUPAC2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
SMILESCOCCc1nc(-c2ccncc2)c(CC(=O)O)s1
InChIInChI=1S/C13H14N2O3S/c1-18-7-4-11-15-13(9-2-5-14-6-3-9)10(19-11)8-12(16)17/h2-3,5-6H,4,7-8H2,1H3,(H,16,17)
InChIKeyQJXOBMHFNLGBOZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid

2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82069351) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
PubChem CID82069351
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
SMILESCOCCc1nc(-c2ccncc2)c(CC(=O)O)s1
InChIInChI=1S/C13H14N2O3S/c1-18-7-4-11-15-13(9-2-5-14-6-3-9)10(19-11)8-12(16)17/h2-3,5-6H,4,7-8H2,1H3,(H,16,17)
InChIKeyQJXOBMHFNLGBOZ-UHFFFAOYSA-N
XLogP2.02
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82440343
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[2-[4-(4-chlorophenoxy)butyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 110311524
2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82069366
2-(2-benzyl-4-pyridin-4-yl-1,3-thiazol-5-yl)acetate
CID 140695284
2-[2-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105314
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
N-(2-methoxyethyl)-2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethanamine
CID 79782932
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid (CID 82069351) is 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid is COCCc1nc(-c2ccncc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is QJXOBMHFNLGBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-7-4-11-15-13(9-2-5-14-6-3-9)10(19-11)8-12(16)17/h2-3,5-6H,4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82069351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).