2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid

C14H11N5O3S — CID 69484253

IUPAC2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid
SMILESO=C(Nc1cnccn1)Nc1sc(-c2cc[nH]c2)cc1C(=O)O
InChIInChI=1S/C14H11N5O3S/c20-13(21)9-5-10(8-1-2-15-6-8)23-12(9)19-14(22)18-11-7-16-3-4-17-11/h1-7,15H,(H,20,21)(H2,17,18,19,22)
InChIKeyIFHHMNIWGUXAMX-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.88
Rot. Bonds4

About 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid

2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid (PubChem CID 69484253) has the molecular formula C14H11N5O3S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid
PubChem CID69484253
Molecular FormulaC14H11N5O3S
Molecular Weight329.34 g/mol
Exact Mass329.06
IUPAC Name2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid
SMILESO=C(Nc1cnccn1)Nc1sc(-c2cc[nH]c2)cc1C(=O)O
InChIInChI=1S/C14H11N5O3S/c20-13(21)9-5-10(8-1-2-15-6-8)23-12(9)19-14(22)18-11-7-16-3-4-17-11/h1-7,15H,(H,20,21)(H2,17,18,19,22)
InChIKeyIFHHMNIWGUXAMX-UHFFFAOYSA-N
XLogP2.88
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid (CID 69484253) is 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid is O=C(Nc1cnccn1)Nc1sc(-c2cc[nH]c2)cc1C(=O)O.
What is the InChIKey of 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid?
The InChIKey is IFHHMNIWGUXAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3S/c20-13(21)9-5-10(8-1-2-15-6-8)23-12(9)19-14(22)18-11-7-16-3-4-17-11/h1-7,15H,(H,20,21)(H2,17,18,19,22).
What are the key properties of 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid?
2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid has a molecular weight of 329.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 69484253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).