4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid

C14H9N5O3S — CID 46185624

IUPAC4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cncnc1
InChIInChI=1S/C14H9N5O3S/c20-12(8-3-16-7-17-4-8)19-13-11(14(21)22)9(6-23-13)10-5-15-1-2-18-10/h1-7H,(H,19,20)(H,21,22)
InChIKeyPGTDFVYYECLQGH-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.95
Rot. Bonds4

About 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid

4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 46185624) has the molecular formula C14H9N5O3S and a molecular weight of 327.33 g/mol. Its IUPAC name is 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
PubChem CID46185624
Molecular FormulaC14H9N5O3S
Molecular Weight327.33 g/mol
Exact Mass327.04
IUPAC Name4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cncnc1
InChIInChI=1S/C14H9N5O3S/c20-12(8-3-16-7-17-4-8)19-13-11(14(21)22)9(6-23-13)10-5-15-1-2-18-10/h1-7H,(H,19,20)(H,21,22)
InChIKeyPGTDFVYYECLQGH-UHFFFAOYSA-N
XLogP1.95
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid (CID 46185624) is 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid is O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cncnc1.
What is the InChIKey of 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is PGTDFVYYECLQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O3S/c20-12(8-3-16-7-17-4-8)19-13-11(14(21)22)9(6-23-13)10-5-15-1-2-18-10/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 327.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 46185624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).