2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid

C8H9NO3S — CID 64981658

IUPAC2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C8H9NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKeyMEPUJIXKIDJYNN-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.69
Rot. Bonds2

About 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid

2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 64981658) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID64981658
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C8H9NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKeyMEPUJIXKIDJYNN-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 64981658) is 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(C2CCCO2)s1.
What is the InChIKey of 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is MEPUJIXKIDJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 64981658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).