4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid

C9H11NO3S — CID 96612608

IUPAC4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CCOCC1
InChIInChI=1S/C9H11NO3S/c11-8(12)9(2-5-13-6-3-9)7-1-4-10-14-7/h1,4H,2-3,5-6H2,(H,11,12)
InChIKeyODJACSKCHVYILA-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.28
Rot. Bonds2

About 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid

4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid (PubChem CID 96612608) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid
PubChem CID96612608
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CCOCC1
InChIInChI=1S/C9H11NO3S/c11-8(12)9(2-5-13-6-3-9)7-1-4-10-14-7/h1,4H,2-3,5-6H2,(H,11,12)
InChIKeyODJACSKCHVYILA-UHFFFAOYSA-N
XLogP1.28
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-(1,2-thiazol-5-yl)propanoic acid
CID 82412108
4-Hydroxy-2-(1,2-thiazol-5-yl)butanoic acid
CID 82405484
3-(1,2-Thiazol-5-yl)oxetane-3-carboxylic acid
CID 82406251
2-[1-(1,2-Thiazol-5-yl)cyclopropyl]acetic acid
CID 82407144
1-Methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
CID 96603325
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
3-Methyl-2-(1,2-thiazol-5-yl)butanoic acid
CID 130798229

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid?
The IUPAC name of 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid (CID 96612608) is 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid is O=C(O)C1(c2ccns2)CCOCC1.
What is the InChIKey of 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid?
The InChIKey is ODJACSKCHVYILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-8(12)9(2-5-13-6-3-9)7-1-4-10-14-7/h1,4H,2-3,5-6H2,(H,11,12).
What are the key properties of 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid?
4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-5-yl)oxane-4-carboxylic acid is sourced from PubChem (CID 96612608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).