3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid

C10H15NO3S — CID 79819859

IUPAC3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
SMILESCC(C)(C)c1csc(CC(O)C(=O)O)n1
InChIInChI=1S/C10H15NO3S/c1-10(2,3)7-5-15-8(11-7)4-6(12)9(13)14/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyDLNZBPLHZNTTKH-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.43
Rot. Bonds3

About 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid

3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid (PubChem CID 79819859) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
PubChem CID79819859
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
SMILESCC(C)(C)c1csc(CC(O)C(=O)O)n1
InChIInChI=1S/C10H15NO3S/c1-10(2,3)7-5-15-8(11-7)4-6(12)9(13)14/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyDLNZBPLHZNTTKH-UHFFFAOYSA-N
XLogP1.43
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 79817832
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-hydroxypentan-2-one
CID 103344022
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydroxyhexan-2-one
CID 103453966
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-ol
CID 79820555
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79819728
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
CID 116752722
2-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 81223515
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethylpentan-2-one
CID 115786943

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid (CID 79819859) is 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid is CC(C)(C)c1csc(CC(O)C(=O)O)n1.
What is the InChIKey of 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid?
The InChIKey is DLNZBPLHZNTTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(2,3)7-5-15-8(11-7)4-6(12)9(13)14/h5-6,12H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid?
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 79819859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).