5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one

C7H5N3OS — CID 165444968

IUPAC5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one
SMILESO=c1cnc(-c2nccs2)c[nH]1
InChIInChI=1S/C7H5N3OS/c11-6-4-9-5(3-10-6)7-8-1-2-12-7/h1-4H,(H,10,11)
InChIKeyNUCUOVDZZDCABA-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.89
Rot. Bonds1

About 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one

5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one (PubChem CID 165444968) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one
PubChem CID165444968
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one
SMILESO=c1cnc(-c2nccs2)c[nH]1
InChIInChI=1S/C7H5N3OS/c11-6-4-9-5(3-10-6)7-8-1-2-12-7/h1-4H,(H,10,11)
InChIKeyNUCUOVDZZDCABA-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one?
The IUPAC name of 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one (CID 165444968) is 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one is O=c1cnc(-c2nccs2)c[nH]1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one?
The InChIKey is NUCUOVDZZDCABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS/c11-6-4-9-5(3-10-6)7-8-1-2-12-7/h1-4H,(H,10,11).
What are the key properties of 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one?
5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one has a molecular weight of 179.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 165444968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).