2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid

C14H11N5O3S — CID 46185372

IUPAC2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid
SMILESCn1cnc(C(=O)Nc2scc(-c3cnccn3)c2C(=O)O)c1
InChIInChI=1S/C14H11N5O3S/c1-19-5-10(17-7-19)12(20)18-13-11(14(21)22)8(6-23-13)9-4-15-2-3-16-9/h2-7H,1H3,(H,18,20)(H,21,22)
InChIKeyADEDHHFDZPJYFG-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.89
Rot. Bonds4

About 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid

2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid (PubChem CID 46185372) has the molecular formula C14H11N5O3S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid
PubChem CID46185372
Molecular FormulaC14H11N5O3S
Molecular Weight329.34 g/mol
Exact Mass329.06
IUPAC Name2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid
SMILESCn1cnc(C(=O)Nc2scc(-c3cnccn3)c2C(=O)O)c1
InChIInChI=1S/C14H11N5O3S/c1-19-5-10(17-7-19)12(20)18-13-11(14(21)22)8(6-23-13)9-4-15-2-3-16-9/h2-7H,1H3,(H,18,20)(H,21,22)
InChIKeyADEDHHFDZPJYFG-UHFFFAOYSA-N
XLogP1.89
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid (CID 46185372) is 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid is Cn1cnc(C(=O)Nc2scc(-c3cnccn3)c2C(=O)O)c1.
What is the InChIKey of 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid?
The InChIKey is ADEDHHFDZPJYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3S/c1-19-5-10(17-7-19)12(20)18-13-11(14(21)22)8(6-23-13)9-4-15-2-3-16-9/h2-7H,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid?
2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid has a molecular weight of 329.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 46185372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).