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

C11H17NO3S — CID 116705266

IUPAC2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCC(OC)c1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C11H17NO3S/c1-4-5-8(15-3)11-12-7(2)9(16-11)6-10(13)14/h8H,4-6H2,1-3H3,(H,13,14)
InChIKeyXAJSLDBGIHEWRV-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.57
Rot. Bonds6

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

2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 116705266) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID116705266
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCC(OC)c1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C11H17NO3S/c1-4-5-8(15-3)11-12-7(2)9(16-11)6-10(13)14/h8H,4-6H2,1-3H3,(H,13,14)
InChIKeyXAJSLDBGIHEWRV-UHFFFAOYSA-N
XLogP2.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 116705266) is 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is CCCC(OC)c1nc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is XAJSLDBGIHEWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-5-8(15-3)11-12-7(2)9(16-11)6-10(13)14/h8H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 243.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 116705266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).