2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

C10H15NO4S — CID 103377886

IUPAC2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(OC(C)C(C)O)C(=O)O)n1
InChIInChI=1S/C10H15NO4S/c1-5-4-16-9(11-5)8(10(13)14)15-7(3)6(2)12/h4,6-8,12H,1-3H3,(H,13,14)
InChIKeyCRMYZIJEHDWQLS-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.36
Rot. Bonds5

About 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 103377886) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
PubChem CID103377886
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(OC(C)C(C)O)C(=O)O)n1
InChIInChI=1S/C10H15NO4S/c1-5-4-16-9(11-5)8(10(13)14)15-7(3)6(2)12/h4,6-8,12H,1-3H3,(H,13,14)
InChIKeyCRMYZIJEHDWQLS-UHFFFAOYSA-N
XLogP1.36
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-1-(4-methyl-1,3-thiazol-2-yl)ethoxy]butan-2-ol
CID 103377235
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770718
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 143571852
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770728
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636
ethyl (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-phenylpropanoate
CID 8024886
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
N,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 20655939

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (CID 103377886) is 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is Cc1csc(C(OC(C)C(C)O)C(=O)O)n1.
What is the InChIKey of 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is CRMYZIJEHDWQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-5-4-16-9(11-5)8(10(13)14)15-7(3)6(2)12/h4,6-8,12H,1-3H3,(H,13,14).
What are the key properties of 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 245.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 103377886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).