3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid

C10H9N3O2S2 — CID 106677999

IUPAC3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
SMILESNc1nccnc1SCc1ccsc1C(=O)O
InChIInChI=1S/C10H9N3O2S2/c11-8-9(13-3-2-12-8)17-5-6-1-4-16-7(6)10(14)15/h1-4H,5H2,(H2,11,12)(H,14,15)
InChIKeyQRWFMFWPGBXUAT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.11
Rot. Bonds4

About 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid

3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid (PubChem CID 106677999) has the molecular formula C10H9N3O2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
PubChem CID106677999
Molecular FormulaC10H9N3O2S2
Molecular Weight267.33 g/mol
Exact Mass267.01
IUPAC Name3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
SMILESNc1nccnc1SCc1ccsc1C(=O)O
InChIInChI=1S/C10H9N3O2S2/c11-8-9(13-3-2-12-8)17-5-6-1-4-16-7(6)10(14)15/h1-4H,5H2,(H2,11,12)(H,14,15)
InChIKeyQRWFMFWPGBXUAT-UHFFFAOYSA-N
XLogP2.11
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid (CID 106677999) is 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid is Nc1nccnc1SCc1ccsc1C(=O)O.
What is the InChIKey of 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid?
The InChIKey is QRWFMFWPGBXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S2/c11-8-9(13-3-2-12-8)17-5-6-1-4-16-7(6)10(14)15/h1-4H,5H2,(H2,11,12)(H,14,15).
What are the key properties of 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid?
3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyrazin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106677999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).