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

C8H9NO3S — CID 82397881

IUPAC3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid
SMILESCc1cc(C2(C(=O)O)COC2)sn1
InChIInChI=1S/C8H9NO3S/c1-5-2-6(13-9-5)8(7(10)11)3-12-4-8/h2H,3-4H2,1H3,(H,10,11)
InChIKeyREQFETIPYVNGKT-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.80
Rot. Bonds2

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

3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid (PubChem CID 82397881) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid
PubChem CID82397881
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid
SMILESCc1cc(C2(C(=O)O)COC2)sn1
InChIInChI=1S/C8H9NO3S/c1-5-2-6(13-9-5)8(7(10)11)3-12-4-8/h2H,3-4H2,1H3,(H,10,11)
InChIKeyREQFETIPYVNGKT-UHFFFAOYSA-N
XLogP0.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-1,2-thiazol-5-yl)acetic acid
CID 82372986
2-Fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 131121519
3-Methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid
CID 126985703
2-(3-Tert-butyl-1,2-thiazol-5-yl)acetic acid
CID 82372987
2-(3-Ethyl-1,2-thiazol-5-yl)acetic acid
CID 82372988
2-(3-Propan-2-yl-1,2-thiazol-5-yl)acetic acid
CID 82372989
2-[3-(2-Methylpropyl)-1,2-thiazol-5-yl]acetic acid
CID 82372990
2-(3-Propan-2-yl-1,2-thiazol-5-yl)propanoic acid
CID 82397722
2-Cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 82398842
2-Methyl-2-(3-methyl-1,2-thiazol-5-yl)propanoic acid
CID 82406156
1-(3-Methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 96627434
2-(3-Methyl-1,2-thiazol-5-yl)butanoic acid
CID 112489027

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid (CID 82397881) is 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid is Cc1cc(C2(C(=O)O)COC2)sn1.
What is the InChIKey of 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid?
The InChIKey is REQFETIPYVNGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5-2-6(13-9-5)8(7(10)11)3-12-4-8/h2H,3-4H2,1H3,(H,10,11).
What are the key properties of 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid?
3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-thiazol-5-yl)oxetane-3-carboxylic acid is sourced from PubChem (CID 82397881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).