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

C7H12N2O2S — CID 22356105

IUPAC2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid
SMILESCCC1=C(C(=O)O)N(C)C(N)S1
InChIInChI=1S/C7H12N2O2S/c1-3-4-5(6(10)11)9(2)7(8)12-4/h7H,3,8H2,1-2H3,(H,10,11)
InChIKeyMLJHMAWSZNLDAB-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.61
Rot. Bonds2

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

2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid (PubChem CID 22356105) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid
PubChem CID22356105
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid
SMILESCCC1=C(C(=O)O)N(C)C(N)S1
InChIInChI=1S/C7H12N2O2S/c1-3-4-5(6(10)11)9(2)7(8)12-4/h7H,3,8H2,1-2H3,(H,10,11)
InChIKeyMLJHMAWSZNLDAB-UHFFFAOYSA-N
XLogP0.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid (CID 22356105) is 2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid is CCC1=C(C(=O)O)N(C)C(N)S1.
What is the InChIKey of 2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid?
The InChIKey is MLJHMAWSZNLDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-3-4-5(6(10)11)9(2)7(8)12-4/h7H,3,8H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid?
2-amino-5-ethyl-3-methyl-2H-1,3-thiazole-4-carboxylic acid has a molecular weight of 188.25 g/mol, XLogP of 0.61, 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-3-methyl-2H-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22356105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).