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

C6H7NO3S — CID 83619674

IUPAC5-ethoxy-1,2-thiazole-3-carboxylic acid
SMILESCCOc1cc(C(=O)O)ns1
InChIInChI=1S/C6H7NO3S/c1-2-10-5-3-4(6(8)9)7-11-5/h3H,2H2,1H3,(H,8,9)
InChIKeyPXYSIZHLOZICDA-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.24
Rot. Bonds3

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

5-ethoxy-1,2-thiazole-3-carboxylic acid (PubChem CID 83619674) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 5-ethoxy-1,2-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-1,2-thiazole-3-carboxylic acid
PubChem CID83619674
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name5-ethoxy-1,2-thiazole-3-carboxylic acid
SMILESCCOc1cc(C(=O)O)ns1
InChIInChI=1S/C6H7NO3S/c1-2-10-5-3-4(6(8)9)7-11-5/h3H,2H2,1H3,(H,8,9)
InChIKeyPXYSIZHLOZICDA-UHFFFAOYSA-N
XLogP1.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-1,2-thiazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid
CID 117218324
5-ethylsulfanylcarbonyl-1,2-thiazole-3-carboxylic acid
CID 117218325
5-ethoxy-6-methylpyrazine-2-carboxylic acid
CID 170068148
6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
CID 83879725
5-(propan-2-ylcarbamoyl)-1,2-thiazole-3-carboxylic acid
CID 117218326
2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
CID 66933435
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
4-ethoxy-3,5-dihydroxybenzoic acid
CID 55283148
6,7-diethoxyquinoline-2-carboxylic acid
CID 102941445
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid
CID 66920938
2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
CID 83883634

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,2-thiazole-3-carboxylic acid?
The IUPAC name of 5-ethoxy-1,2-thiazole-3-carboxylic acid (CID 83619674) is 5-ethoxy-1,2-thiazole-3-carboxylic acid.
What is the SMILES notation for 5-ethoxy-1,2-thiazole-3-carboxylic acid?
The canonical SMILES for 5-ethoxy-1,2-thiazole-3-carboxylic acid is CCOc1cc(C(=O)O)ns1.
What is the InChIKey of 5-ethoxy-1,2-thiazole-3-carboxylic acid?
The InChIKey is PXYSIZHLOZICDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-2-10-5-3-4(6(8)9)7-11-5/h3H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethoxy-1,2-thiazole-3-carboxylic acid?
5-ethoxy-1,2-thiazole-3-carboxylic acid has a molecular weight of 173.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,2-thiazole-3-carboxylic acid is sourced from PubChem (CID 83619674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).