5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one

C9H8N2OS — CID 55265010

IUPAC5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one
SMILESCc1sc(=O)[nH]c1-c1ccccn1
InChIInChI=1S/C9H8N2OS/c1-6-8(11-9(12)13-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12)
InChIKeyWSFKQAJUYQECND-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

About 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one

5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one (PubChem CID 55265010) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one
PubChem CID55265010
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one
SMILESCc1sc(=O)[nH]c1-c1ccccn1
InChIInChI=1S/C9H8N2OS/c1-6-8(11-9(12)13-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12)
InChIKeyWSFKQAJUYQECND-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one (CID 55265010) is 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one is Cc1sc(=O)[nH]c1-c1ccccn1.
What is the InChIKey of 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one?
The InChIKey is WSFKQAJUYQECND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-8(11-9(12)13-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12).
What are the key properties of 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one?
5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one has a molecular weight of 192.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 55265010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).