5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid

C11H12N4O3S — CID 143930439

IUPAC5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccc(NCCO)nc2)nc1C(=O)O
InChIInChI=1S/C11H12N4O3S/c12-9-8(11(17)18)15-10(19-9)6-1-2-7(14-5-6)13-3-4-16/h1-2,5,16H,3-4,12H2,(H,13,14)(H,17,18)
InChIKeyLESIFMZRFLHUDT-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.89
Rot. Bonds5

About 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid

5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 143930439) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
PubChem CID143930439
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccc(NCCO)nc2)nc1C(=O)O
InChIInChI=1S/C11H12N4O3S/c12-9-8(11(17)18)15-10(19-9)6-1-2-7(14-5-6)13-3-4-16/h1-2,5,16H,3-4,12H2,(H,13,14)(H,17,18)
InChIKeyLESIFMZRFLHUDT-UHFFFAOYSA-N
XLogP0.89
TPSA121.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
CID 107981281
5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199996
5-amino-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 103199844
5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 107948683
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
5-amino-1,3-thiazole-2,4-dicarboxylic acid
CID 84770637
5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199947
2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 114937601
2-[(5-ethyl-2-pyridinyl)amino]ethanol
CID 58961616
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106694863
ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 166903913

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid (CID 143930439) is 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2ccc(NCCO)nc2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LESIFMZRFLHUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c12-9-8(11(17)18)15-10(19-9)6-1-2-7(14-5-6)13-3-4-16/h1-2,5,16H,3-4,12H2,(H,13,14)(H,17,18).
What are the key properties of 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?
5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 143930439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).