4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid

C7H9NO3S — CID 82405484

IUPAC4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid
SMILESO=C(O)C(CCO)c1ccns1
InChIInChI=1S/C7H9NO3S/c9-4-2-5(7(10)11)6-1-3-8-12-6/h1,3,5,9H,2,4H2,(H,10,11)
InChIKeyRHHFLBKGLSBCJH-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.69
Rot. Bonds4

About 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid

4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid (PubChem CID 82405484) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid
PubChem CID82405484
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid
SMILESO=C(O)C(CCO)c1ccns1
InChIInChI=1S/C7H9NO3S/c9-4-2-5(7(10)11)6-1-3-8-12-6/h1,3,5,9H,2,4H2,(H,10,11)
InChIKeyRHHFLBKGLSBCJH-UHFFFAOYSA-N
XLogP0.69
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-Thiazol-5-yl)acetic acid
CID 20389339
2-Methyl-2-(1,2-thiazol-5-yl)propanoic acid
CID 82412108
2-Fluoro-2-(1,2-thiazol-5-yl)acetic acid
CID 130989408
3-(1,2-Thiazol-5-yl)oxetane-3-carboxylic acid
CID 82406251
3-(1,2-Thiazol-5-yl)butanoic acid
CID 82598396
Methyl 2-(1,2-thiazol-5-yl)acetate
CID 85943383
Ethyl 2-(1,2-thiazol-5-yl)acetate
CID 86146696
4-(1,2-Thiazol-5-yl)oxane-4-carboxylic acid
CID 96612608
1-(1,2-Thiazol-5-yl)cyclopentane-1-carboxylic acid
CID 96621501
1-(1,2-Thiazol-5-yl)cyclobutane-1-carboxylic acid
CID 96627418
1-(1,2-Thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 96631993
3-Amino-2-(1,2-thiazol-5-yl)propanoic acid
CID 112489541

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid?
The IUPAC name of 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid (CID 82405484) is 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid is O=C(O)C(CCO)c1ccns1.
What is the InChIKey of 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid?
The InChIKey is RHHFLBKGLSBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-4-2-5(7(10)11)6-1-3-8-12-6/h1,3,5,9H,2,4H2,(H,10,11).
What are the key properties of 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid?
4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid has a molecular weight of 187.22 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1,2-thiazol-5-yl)butanoic acid is sourced from PubChem (CID 82405484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).