5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C13H11N3OS — CID 118733027

IUPAC5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1ccc(-c2nc3c(=O)[nH]c(C)nc3s2)cc1
InChIInChI=1S/C13H11N3OS/c1-7-3-5-9(6-4-7)12-16-10-11(17)14-8(2)15-13(10)18-12/h3-6H,1-2H3,(H,14,15,17)
InChIKeySMWSBPKSUUUDLL-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.66
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118733027) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118733027
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1ccc(-c2nc3c(=O)[nH]c(C)nc3s2)cc1
InChIInChI=1S/C13H11N3OS/c1-7-3-5-9(6-4-7)12-16-10-11(17)14-8(2)15-13(10)18-12/h3-6H,1-2H3,(H,14,15,17)
InChIKeySMWSBPKSUUUDLL-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118733027) is 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1ccc(-c2nc3c(=O)[nH]c(C)nc3s2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is SMWSBPKSUUUDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-7-3-5-9(6-4-7)12-16-10-11(17)14-8(2)15-13(10)18-12/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 257.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118733027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).