2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C12H8N2OS — CID 854971

IUPAC2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1C(c2ccccc2)=S=C2N=CC=CN12
InChIInChI=1S/C12H8N2OS/c15-11-10(9-5-2-1-3-6-9)16-12-13-7-4-8-14(11)12/h1-8H
InChIKeyXTPQISKRYQWPHE-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.47
Rot. Bonds1

About 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one

2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 854971) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID854971
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1C(c2ccccc2)=S=C2N=CC=CN12
InChIInChI=1S/C12H8N2OS/c15-11-10(9-5-2-1-3-6-9)16-12-13-7-4-8-14(11)12/h1-8H
InChIKeyXTPQISKRYQWPHE-UHFFFAOYSA-N
XLogP1.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 854971) is 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=C1C(c2ccccc2)=S=C2N=CC=CN12.
What is the InChIKey of 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is XTPQISKRYQWPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-11-10(9-5-2-1-3-6-9)16-12-13-7-4-8-14(11)12/h1-8H.
What are the key properties of 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 228.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 854971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).