2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid

C15H11N5O3S — CID 69485709

IUPAC2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid
SMILESO=C(Nc1cnccn1)Nc1sc(-c2ccccn2)cc1C(=O)O
InChIInChI=1S/C15H11N5O3S/c21-14(22)9-7-11(10-3-1-2-4-17-10)24-13(9)20-15(23)19-12-8-16-5-6-18-12/h1-8H,(H,21,22)(H2,18,19,20,23)
InChIKeyMZHYGQSZPPBBRU-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.94
Rot. Bonds4

About 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid

2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid (PubChem CID 69485709) has the molecular formula C15H11N5O3S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid
PubChem CID69485709
Molecular FormulaC15H11N5O3S
Molecular Weight341.35 g/mol
Exact Mass341.06
IUPAC Name2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid
SMILESO=C(Nc1cnccn1)Nc1sc(-c2ccccn2)cc1C(=O)O
InChIInChI=1S/C15H11N5O3S/c21-14(22)9-7-11(10-3-1-2-4-17-10)24-13(9)20-15(23)19-12-8-16-5-6-18-12/h1-8H,(H,21,22)(H2,18,19,20,23)
InChIKeyMZHYGQSZPPBBRU-UHFFFAOYSA-N
XLogP2.94
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid (CID 69485709) is 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid is O=C(Nc1cnccn1)Nc1sc(-c2ccccn2)cc1C(=O)O.
What is the InChIKey of 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid?
The InChIKey is MZHYGQSZPPBBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3S/c21-14(22)9-7-11(10-3-1-2-4-17-10)24-13(9)20-15(23)19-12-8-16-5-6-18-12/h1-8H,(H,21,22)(H2,18,19,20,23).
What are the key properties of 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid?
2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid has a molecular weight of 341.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 69485709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).