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

C7H7NO4S — CID 18441892

IUPAC2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2OCCO2)s1
InChIInChI=1S/C7H7NO4S/c9-6(10)4-3-8-5(13-4)7-11-1-2-12-7/h3,7H,1-2H2,(H,9,10)
InChIKeyYDRYBXHGSZTEQJ-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.89
Rot. Bonds2

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

2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 18441892) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID18441892
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2OCCO2)s1
InChIInChI=1S/C7H7NO4S/c9-6(10)4-3-8-5(13-4)7-11-1-2-12-7/h3,7H,1-2H2,(H,9,10)
InChIKeyYDRYBXHGSZTEQJ-UHFFFAOYSA-N
XLogP0.89
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 18441892) is 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(C2OCCO2)s1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YDRYBXHGSZTEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c9-6(10)4-3-8-5(13-4)7-11-1-2-12-7/h3,7H,1-2H2,(H,9,10).
What are the key properties of 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 201.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18441892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).