3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid

C7H7NO3S — CID 82406251

IUPAC3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid
SMILESO=C(O)C1(c2ccns2)COC1
InChIInChI=1S/C7H7NO3S/c9-6(10)7(3-11-4-7)5-1-2-8-12-5/h1-2H,3-4H2,(H,9,10)
InChIKeyMDDLDMRSXHTDIT-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.50
Rot. Bonds2

About 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid

3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid (PubChem CID 82406251) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid
PubChem CID82406251
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid
SMILESO=C(O)C1(c2ccns2)COC1
InChIInChI=1S/C7H7NO3S/c9-6(10)7(3-11-4-7)5-1-2-8-12-5/h1-2H,3-4H2,(H,9,10)
InChIKeyMDDLDMRSXHTDIT-UHFFFAOYSA-N
XLogP0.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
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
4-Hydroxy-2-(1,2-thiazol-5-yl)butanoic acid
CID 82405484
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
2-(1,2-Thiazol-5-yl)butanoic acid
CID 112489558
2-(1,2-Thiazol-5-yl)propanoic acid
CID 112489827

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid (CID 82406251) is 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid is O=C(O)C1(c2ccns2)COC1.
What is the InChIKey of 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid?
The InChIKey is MDDLDMRSXHTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c9-6(10)7(3-11-4-7)5-1-2-8-12-5/h1-2H,3-4H2,(H,9,10).
What are the key properties of 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid?
3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid has a molecular weight of 185.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-5-yl)oxetane-3-carboxylic acid is sourced from PubChem (CID 82406251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).