5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde

C8H5N3OS — CID 82403529

IUPAC5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(-c2cncs2)cn1
InChIInChI=1S/C8H5N3OS/c12-4-6-1-11-7(2-10-6)8-3-9-5-13-8/h1-5H
InChIKeyFBIALXHWMMKGPH-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.41
Rot. Bonds2

About 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde

5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde (PubChem CID 82403529) has the molecular formula C8H5N3OS and a molecular weight of 191.22 g/mol. Its IUPAC name is 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde
PubChem CID82403529
Molecular FormulaC8H5N3OS
Molecular Weight191.22 g/mol
Exact Mass191.02
IUPAC Name5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(-c2cncs2)cn1
InChIInChI=1S/C8H5N3OS/c12-4-6-1-11-7(2-10-6)8-3-9-5-13-8/h1-5H
InChIKeyFBIALXHWMMKGPH-UHFFFAOYSA-N
XLogP1.41
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde (CID 82403529) is 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde is O=Cc1cnc(-c2cncs2)cn1.
What is the InChIKey of 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde?
The InChIKey is FBIALXHWMMKGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3OS/c12-4-6-1-11-7(2-10-6)8-3-9-5-13-8/h1-5H.
What are the key properties of 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde?
5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde has a molecular weight of 191.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 82403529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).