4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid

C7H10N2O4S — CID 53487026

IUPAC4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid
SMILESCCOC(=O)C1SC=C(N)N1C(=O)O
InChIInChI=1S/C7H10N2O4S/c1-2-13-6(10)5-9(7(11)12)4(8)3-14-5/h3,5H,2,8H2,1H3,(H,11,12)
InChIKeyPJUOXOQMDOVLOY-UHFFFAOYSA-N
MW218.23 g/mol
LogP0.36
Rot. Bonds2

About 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid

4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid (PubChem CID 53487026) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid
PubChem CID53487026
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid
SMILESCCOC(=O)C1SC=C(N)N1C(=O)O
InChIInChI=1S/C7H10N2O4S/c1-2-13-6(10)5-9(7(11)12)4(8)3-14-5/h3,5H,2,8H2,1H3,(H,11,12)
InChIKeyPJUOXOQMDOVLOY-UHFFFAOYSA-N
XLogP0.36
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid?
The IUPAC name of 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid (CID 53487026) is 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid?
The canonical SMILES for 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid is CCOC(=O)C1SC=C(N)N1C(=O)O.
What is the InChIKey of 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid?
The InChIKey is PJUOXOQMDOVLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-2-13-6(10)5-9(7(11)12)4(8)3-14-5/h3,5H,2,8H2,1H3,(H,11,12).
What are the key properties of 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid?
4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid has a molecular weight of 218.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxycarbonyl-2H-1,3-thiazole-3-carboxylic acid is sourced from PubChem (CID 53487026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).