5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid

C15H11N3O5S2 — CID 135434429

IUPAC5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Cc1cccs1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C15H11N3O5S2/c19-9(6-7-2-1-4-24-7)16-8-3-5-25-12(8)13-17-10(15(22)23)11(20)14(21)18-13/h1-5,20H,6H2,(H,16,19)(H,22,23)(H,17,18,21)
InChIKeyJQMWHDMBAAWBMG-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.14
Rot. Bonds5

About 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434429) has the molecular formula C15H11N3O5S2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
PubChem CID135434429
Molecular FormulaC15H11N3O5S2
Molecular Weight377.40 g/mol
Exact Mass377.01
IUPAC Name5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Cc1cccs1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C15H11N3O5S2/c19-9(6-7-2-1-4-24-7)16-8-3-5-25-12(8)13-17-10(15(22)23)11(20)14(21)18-13/h1-5,20H,6H2,(H,16,19)(H,22,23)(H,17,18,21)
InChIKeyJQMWHDMBAAWBMG-UHFFFAOYSA-N
XLogP2.14
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid (CID 135434429) is 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid is O=C(Cc1cccs1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1.
What is the InChIKey of 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is JQMWHDMBAAWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S2/c19-9(6-7-2-1-4-24-7)16-8-3-5-25-12(8)13-17-10(15(22)23)11(20)14(21)18-13/h1-5,20H,6H2,(H,16,19)(H,22,23)(H,17,18,21).
What are the key properties of 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-[3-[(2-thiophen-2-ylacetyl)amino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).