3-ethyl-1,2-thiazole-5-carboxylic acid

C6H7NO2S — CID 75465031

IUPAC3-ethyl-1,2-thiazole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)sn1
InChIInChI=1S/C6H7NO2S/c1-2-4-3-5(6(8)9)10-7-4/h3H,2H2,1H3,(H,8,9)
InChIKeyLVDGXFWGUKQILL-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.40
Rot. Bonds2

About 3-ethyl-1,2-thiazole-5-carboxylic acid

3-ethyl-1,2-thiazole-5-carboxylic acid (PubChem CID 75465031) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-ethyl-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1,2-thiazole-5-carboxylic acid
PubChem CID75465031
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-ethyl-1,2-thiazole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)sn1
InChIInChI=1S/C6H7NO2S/c1-2-4-3-5(6(8)9)10-7-4/h3H,2H2,1H3,(H,8,9)
InChIKeyLVDGXFWGUKQILL-UHFFFAOYSA-N
XLogP1.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-ethyl-1,2-thiazole-5-carboxylic acid (CID 75465031) is 3-ethyl-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-ethyl-1,2-thiazole-5-carboxylic acid is CCc1cc(C(=O)O)sn1.
What is the InChIKey of 3-ethyl-1,2-thiazole-5-carboxylic acid?
The InChIKey is LVDGXFWGUKQILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-2-4-3-5(6(8)9)10-7-4/h3H,2H2,1H3,(H,8,9).
What are the key properties of 3-ethyl-1,2-thiazole-5-carboxylic acid?
3-ethyl-1,2-thiazole-5-carboxylic acid has a molecular weight of 157.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 75465031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).