2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

C12H19NO3S — CID 116705312

IUPAC2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCOC(c1nc(C(C)(C)C(=O)O)cs1)C(C)C
InChIInChI=1S/C12H19NO3S/c1-7(2)9(16-5)10-13-8(6-17-10)12(3,4)11(14)15/h6-7,9H,1-5H3,(H,14,15)
InChIKeyHUEXWJTYHFVYMS-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 116705312) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID116705312
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCOC(c1nc(C(C)(C)C(=O)O)cs1)C(C)C
InChIInChI=1S/C12H19NO3S/c1-7(2)9(16-5)10-13-8(6-17-10)12(3,4)11(14)15/h6-7,9H,1-5H3,(H,14,15)
InChIKeyHUEXWJTYHFVYMS-UHFFFAOYSA-N
XLogP2.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116705311
2-[2-(1-methoxypropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116502253
2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369939
2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744578
3-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 116732299
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592
4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazole
CID 107511953
2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 103097342
2-methyl-2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369963
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxybutan-2-one
CID 79819953
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 107922554
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369903

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 116705312) is 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is COC(c1nc(C(C)(C)C(=O)O)cs1)C(C)C.
What is the InChIKey of 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is HUEXWJTYHFVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-7(2)9(16-5)10-13-8(6-17-10)12(3,4)11(14)15/h6-7,9H,1-5H3,(H,14,15).
What are the key properties of 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 257.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 116705312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).