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

C13H11N3OS — CID 118733033

IUPAC5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1cccc(-c2nc3c(=O)[nH]c(C)nc3s2)c1
InChIInChI=1S/C13H11N3OS/c1-7-4-3-5-9(6-7)12-16-10-11(17)14-8(2)15-13(10)18-12/h3-6H,1-2H3,(H,14,15,17)
InChIKeyZCVFBGRKSIIXMQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.66
Rot. Bonds1

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

5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118733033) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118733033
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1cccc(-c2nc3c(=O)[nH]c(C)nc3s2)c1
InChIInChI=1S/C13H11N3OS/c1-7-4-3-5-9(6-7)12-16-10-11(17)14-8(2)15-13(10)18-12/h3-6H,1-2H3,(H,14,15,17)
InChIKeyZCVFBGRKSIIXMQ-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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Related Compounds

2-(4-fluorophenyl)-5-methyl-thiazolo[5,4-d]pyrimidin-7(6H)-one
CID 66757824
5-amino-2-(2,6-difluorophenyl)-N-[1-[(2R)-2-ethylpiperazin-1-yl]-3-imino-1-methyliminopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 91808718
5-amino-N-[1-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-3-imino-1-methyliminopropan-2-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 91808722
5-methyl-2-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733025
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027
2-(4-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733028
2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733034
2-(3-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733035
2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733037
5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733049
AChE-IN-69
CID 162515719
US10065972, Example 486
CID 124152945

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118733033) is 5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1cccc(-c2nc3c(=O)[nH]c(C)nc3s2)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is ZCVFBGRKSIIXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-7-4-3-5-9(6-7)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-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-methyl-2-(3-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-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118733033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).