2-pyridin-2-yl-1,2-thiazol-3-one

C8H6N2OS — CID 44564009

IUPAC2-pyridin-2-yl-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1ccccn1
InChIInChI=1S/C8H6N2OS/c11-8-4-6-12-10(8)7-3-1-2-5-9-7/h1-6H
InChIKeyLDQGZDZYAMGIRK-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.29
Rot. Bonds1

About 2-pyridin-2-yl-1,2-thiazol-3-one

2-pyridin-2-yl-1,2-thiazol-3-one (PubChem CID 44564009) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-pyridin-2-yl-1,2-thiazol-3-one
PubChem CID44564009
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name2-pyridin-2-yl-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1ccccn1
InChIInChI=1S/C8H6N2OS/c11-8-4-6-12-10(8)7-3-1-2-5-9-7/h1-6H
InChIKeyLDQGZDZYAMGIRK-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,2-thiazol-3-one?
The IUPAC name of 2-pyridin-2-yl-1,2-thiazol-3-one (CID 44564009) is 2-pyridin-2-yl-1,2-thiazol-3-one.
What is the SMILES notation for 2-pyridin-2-yl-1,2-thiazol-3-one?
The canonical SMILES for 2-pyridin-2-yl-1,2-thiazol-3-one is O=c1ccsn1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-1,2-thiazol-3-one?
The InChIKey is LDQGZDZYAMGIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-8-4-6-12-10(8)7-3-1-2-5-9-7/h1-6H.
What are the key properties of 2-pyridin-2-yl-1,2-thiazol-3-one?
2-pyridin-2-yl-1,2-thiazol-3-one has a molecular weight of 178.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,2-thiazol-3-one is sourced from PubChem (CID 44564009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).