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

C10H15NO3S — CID 116705225

IUPAC2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
SMILESCCOC(CC)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H15NO3S/c1-3-8(14-4-2)10-11-7(6-15-10)5-9(12)13/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyYFRXEXBEUBRGSN-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.26
Rot. Bonds6

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

2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 116705225) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID116705225
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
SMILESCCOC(CC)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H15NO3S/c1-3-8(14-4-2)10-11-7(6-15-10)5-9(12)13/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyYFRXEXBEUBRGSN-UHFFFAOYSA-N
XLogP2.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
CID 83876777
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
2-[2-(1-hydroxyhexadecyl)-1,3-thiazol-4-yl]acetic acid
CID 123466520
4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one
CID 118396881
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid (CID 116705225) is 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid is CCOC(CC)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YFRXEXBEUBRGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-8(14-4-2)10-11-7(6-15-10)5-9(12)13/h6,8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 229.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 116705225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).