6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H12N2OS — CID 54414204

IUPAC6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C=Cc2ccccc2)nc2sccn2c1=O
InChIInChI=1S/C15H12N2OS/c1-11-13(8-7-12-5-3-2-4-6-12)16-15-17(14(11)18)9-10-19-15/h2-10H,1H3
InChIKeyVWFRQODNLCVOKN-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.23
Rot. Bonds2

About 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 54414204) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID54414204
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C=Cc2ccccc2)nc2sccn2c1=O
InChIInChI=1S/C15H12N2OS/c1-11-13(8-7-12-5-3-2-4-6-12)16-15-17(14(11)18)9-10-19-15/h2-10H,1H3
InChIKeyVWFRQODNLCVOKN-UHFFFAOYSA-N
XLogP3.23
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70581292
6-methyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 14100430
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
3,6-dimethyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54088831
6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 137304098
7-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126799901
7-[[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124729291
3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
CID 84819262
N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 50953235
5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one
CID 102210604
2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933497

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 54414204) is 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1c(C=Cc2ccccc2)nc2sccn2c1=O.
What is the InChIKey of 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VWFRQODNLCVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-11-13(8-7-12-5-3-2-4-6-12)16-15-17(14(11)18)9-10-19-15/h2-10H,1H3.
What are the key properties of 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 268.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 54414204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).