5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

C11H9N3O3S — CID 107380209

IUPAC5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2cccnc2N)nc1C(=O)O
InChIInChI=1S/C11H9N3O3S/c1-5(15)8-7(11(16)17)14-10(18-8)6-3-2-4-13-9(6)12/h2-4H,1H3,(H2,12,13)(H,16,17)
InChIKeyHGHNQWJDQALPSL-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.69
Rot. Bonds3

About 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 107380209) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
PubChem CID107380209
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2cccnc2N)nc1C(=O)O
InChIInChI=1S/C11H9N3O3S/c1-5(15)8-7(11(16)17)14-10(18-8)6-3-2-4-13-9(6)12/h2-4H,1H3,(H2,12,13)(H,16,17)
InChIKeyHGHNQWJDQALPSL-UHFFFAOYSA-N
XLogP1.69
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
5-acetyl-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106696122
5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106696128
5-acetyl-2-(3-aminophenyl)-1,3-thiazole-4-carboxylic acid
CID 107380226
5-acetyl-2-isoquinolin-1-yl-1,3-thiazole-4-carboxylic acid
CID 106696372
5-acetyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696108
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
5-acetyl-2-isoquinolin-4-yl-1,3-thiazole-4-carboxylic acid
CID 106696109
5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696152
methyl 5-acetyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylate
CID 106696597
methyl 5-acetyl-2-(3-bromo-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 106696565

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (CID 107380209) is 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(-c2cccnc2N)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HGHNQWJDQALPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-5(15)8-7(11(16)17)14-10(18-8)6-3-2-4-13-9(6)12/h2-4H,1H3,(H2,12,13)(H,16,17).
What are the key properties of 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107380209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).