2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one

C11H9N3O3S — CID 17176675

IUPAC2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(C2(O)C(=O)Nc3ccccc32)S1
InChIInChI=1S/C11H9N3O3S/c12-10-14-8(15)7(18-10)11(17)5-3-1-2-4-6(5)13-9(11)16/h1-4,7,17H,(H,13,16)(H2,12,14,15)
InChIKeyVDRMAROPOXATEN-UHFFFAOYSA-N
MW263.28 g/mol
LogP-0.22
Rot. Bonds1

About 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one

2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one (PubChem CID 17176675) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one
PubChem CID17176675
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(C2(O)C(=O)Nc3ccccc32)S1
InChIInChI=1S/C11H9N3O3S/c12-10-14-8(15)7(18-10)11(17)5-3-1-2-4-6(5)13-9(11)16/h1-4,7,17H,(H,13,16)(H2,12,14,15)
InChIKeyVDRMAROPOXATEN-UHFFFAOYSA-N
XLogP-0.22
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one (CID 17176675) is 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one is NC1=NC(=O)C(C2(O)C(=O)Nc3ccccc32)S1.
What is the InChIKey of 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one?
The InChIKey is VDRMAROPOXATEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-10-14-8(15)7(18-10)11(17)5-3-1-2-4-6(5)13-9(11)16/h1-4,7,17H,(H,13,16)(H2,12,14,15).
What are the key properties of 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one?
2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one has a molecular weight of 263.28 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 17176675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).