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

C9H13NO3S — CID 64663104

IUPAC2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCOCCc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C9H13NO3S/c1-6-7(5-9(11)12)14-8(10-6)3-4-13-2/h3-5H2,1-2H3,(H,11,12)
InChIKeyHLKUIXOHGYIWFH-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.27
Rot. Bonds5

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

2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 64663104) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID64663104
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCOCCc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C9H13NO3S/c1-6-7(5-9(11)12)14-8(10-6)3-4-13-2/h3-5H2,1-2H3,(H,11,12)
InChIKeyHLKUIXOHGYIWFH-UHFFFAOYSA-N
XLogP1.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760749
2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid
CID 82154417
2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82069351
2-[4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 94760741
2-[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82054979
2-[2-[3-(3,4-dimethylphenoxy)propyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760737
3-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82155080
2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82124315
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402343
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 64663104) is 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is COCCc1nc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HLKUIXOHGYIWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6-7(5-9(11)12)14-8(10-6)3-4-13-2/h3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 215.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 64663104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).