7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one

C13H10N2OS — CID 4608949

IUPAC7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one
SMILESCC1=CC2=S=C(c3ccccc3)C(=O)N2C=N1
InChIInChI=1S/C13H10N2OS/c1-9-7-11-15(8-14-9)13(16)12(17-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyLZBSZIBWLYMXFZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.86
Rot. Bonds1

About 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one

7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one (PubChem CID 4608949) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one
PubChem CID4608949
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one
SMILESCC1=CC2=S=C(c3ccccc3)C(=O)N2C=N1
InChIInChI=1S/C13H10N2OS/c1-9-7-11-15(8-14-9)13(16)12(17-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyLZBSZIBWLYMXFZ-UHFFFAOYSA-N
XLogP1.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.86
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 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one?
The IUPAC name of 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one (CID 4608949) is 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one.
What is the SMILES notation for 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one?
The canonical SMILES for 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one is CC1=CC2=S=C(c3ccccc3)C(=O)N2C=N1.
What is the InChIKey of 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one?
The InChIKey is LZBSZIBWLYMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-7-11-15(8-14-9)13(16)12(17-11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one?
7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one has a molecular weight of 242.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyl-[1,3]thiazolo[3,2-c]pyrimidin-3-one is sourced from PubChem (CID 4608949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).