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

C11H17NO3S — CID 103485545

IUPAC3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
SMILESCCOC(CC)c1nc(CCC(=O)O)cs1
InChIInChI=1S/C11H17NO3S/c1-3-9(15-4-2)11-12-8(7-16-11)5-6-10(13)14/h7,9H,3-6H2,1-2H3,(H,13,14)
InChIKeyRVZRVVYPEQZCGU-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.65
Rot. Bonds7

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

3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103485545) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103485545
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
SMILESCCOC(CC)c1nc(CCC(=O)O)cs1
InChIInChI=1S/C11H17NO3S/c1-3-9(15-4-2)11-12-8(7-16-11)5-6-10(13)14/h7,9H,3-6H2,1-2H3,(H,13,14)
InChIKeyRVZRVVYPEQZCGU-UHFFFAOYSA-N
XLogP2.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486149
4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486550
3-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486836
3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488722
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
3-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103488756
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727809
2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512034

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid (CID 103485545) is 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid is CCOC(CC)c1nc(CCC(=O)O)cs1.
What is the InChIKey of 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is RVZRVVYPEQZCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-9(15-4-2)11-12-8(7-16-11)5-6-10(13)14/h7,9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 243.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103485545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).