2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid

C6H8N2O2S — CID 18323129

IUPAC2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-2-3-4(5(9)10)8-6(7)11-3/h2H2,1H3,(H2,7,8)(H,9,10)
InChIKeyZDVXVYYCBTZEHO-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.99
Rot. Bonds2

About 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid

2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 18323129) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID18323129
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-2-3-4(5(9)10)8-6(7)11-3/h2H2,1H3,(H2,7,8)(H,9,10)
InChIKeyZDVXVYYCBTZEHO-UHFFFAOYSA-N
XLogP0.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-ethyl-1,3-thiazole-4-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid (CID 18323129) is 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid is CCc1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZDVXVYYCBTZEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-3-4(5(9)10)8-6(7)11-3/h2H2,1H3,(H2,7,8)(H,9,10).
What are the key properties of 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid?
2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 172.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 18323129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).