2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid

C16H10FN3O3S — CID 46184846

IUPAC2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C16H10FN3O3S/c17-10-3-1-2-9(6-10)14(21)20-15-13(16(22)23)11(8-24-15)12-7-18-4-5-19-12/h1-8H,(H,20,21)(H,22,23)
InChIKeyXRJOQODQONYBIK-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.29
Rot. Bonds4

About 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid

2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid (PubChem CID 46184846) has the molecular formula C16H10FN3O3S and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid
PubChem CID46184846
Molecular FormulaC16H10FN3O3S
Molecular Weight343.34 g/mol
Exact Mass343.04
IUPAC Name2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C16H10FN3O3S/c17-10-3-1-2-9(6-10)14(21)20-15-13(16(22)23)11(8-24-15)12-7-18-4-5-19-12/h1-8H,(H,20,21)(H,22,23)
InChIKeyXRJOQODQONYBIK-UHFFFAOYSA-N
XLogP3.29
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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US9604977, Example 234
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid (CID 46184846) is 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid is O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid?
The InChIKey is XRJOQODQONYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O3S/c17-10-3-1-2-9(6-10)14(21)20-15-13(16(22)23)11(8-24-15)12-7-18-4-5-19-12/h1-8H,(H,20,21)(H,22,23).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid?
2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 46184846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).