5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid

C14H9N3O5S2 — CID 135434617

IUPAC5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1csc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)c1cccs1
InChIInChI=1S/C14H9N3O5S2/c18-10-9(14(21)22)16-11(17-13(10)20)8-4-6(5-24-8)15-12(19)7-2-1-3-23-7/h1-5,18H,(H,15,19)(H,21,22)(H,16,17,20)
InChIKeyZWHACVORUKFBLL-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.22
Rot. Bonds4

About 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434617) has the molecular formula C14H9N3O5S2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
PubChem CID135434617
Molecular FormulaC14H9N3O5S2
Molecular Weight363.38 g/mol
Exact Mass363.00
IUPAC Name5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1csc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)c1cccs1
InChIInChI=1S/C14H9N3O5S2/c18-10-9(14(21)22)16-11(17-13(10)20)8-4-6(5-24-8)15-12(19)7-2-1-3-23-7/h1-5,18H,(H,15,19)(H,21,22)(H,16,17,20)
InChIKeyZWHACVORUKFBLL-UHFFFAOYSA-N
XLogP2.22
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid (CID 135434617) is 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid is O=C(Nc1csc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)c1cccs1.
What is the InChIKey of 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is ZWHACVORUKFBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O5S2/c18-10-9(14(21)22)16-11(17-13(10)20)8-4-6(5-24-8)15-12(19)7-2-1-3-23-7/h1-5,18H,(H,15,19)(H,21,22)(H,16,17,20).
What are the key properties of 5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 363.38 g/mol, XLogP of 2.22, 4 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-[4-(thiophene-2-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).