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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Related Compounds

methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116705463
1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116728201
2-[2-(1-methoxypropyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 116705427
2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 82155435
2-[4-methyl-2-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 84816847
2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 79019725
1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365982
2-[2-[1-[ethyl(2-hydroxyethyl)amino]propan-2-yl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82163048
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730576
1-[2-(1-methoxybutyl)-1,3-thiazol-5-yl]ethanone
CID 116727518

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).