5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one

C14H11NOS — CID 12515322

IUPAC5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one
SMILESCC1=CC=CC2=S=C(c3ccccc3)C(=O)N12
InChIInChI=1S/C14H11NOS/c1-10-6-5-9-12-15(10)14(16)13(17-12)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyXRHLPOPUYPBNCT-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.39
Rot. Bonds1

About 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one

5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one (PubChem CID 12515322) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one
PubChem CID12515322
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one
SMILESCC1=CC=CC2=S=C(c3ccccc3)C(=O)N12
InChIInChI=1S/C14H11NOS/c1-10-6-5-9-12-15(10)14(16)13(17-12)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyXRHLPOPUYPBNCT-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one?
The IUPAC name of 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one (CID 12515322) is 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one?
The canonical SMILES for 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one is CC1=CC=CC2=S=C(c3ccccc3)C(=O)N12.
What is the InChIKey of 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one?
The InChIKey is XRHLPOPUYPBNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-10-6-5-9-12-15(10)14(16)13(17-12)11-7-3-2-4-8-11/h2-9H,1H3.
What are the key properties of 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one?
5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one has a molecular weight of 241.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one is sourced from PubChem (CID 12515322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).