6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

C19H18N2O3S — CID 54520647

IUPAC6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESCCc1c(C=Cc2ccccc2C)nc2sc(C(=O)O)c(C)n2c1=O
InChIInChI=1S/C19H18N2O3S/c1-4-14-15(10-9-13-8-6-5-7-11(13)2)20-19-21(17(14)22)12(3)16(25-19)18(23)24/h5-10H,4H2,1-3H3,(H,23,24)
InChIKeyYPOFPGYVNGAFJT-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.80
Rot. Bonds4

About 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (PubChem CID 54520647) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
PubChem CID54520647
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESCCc1c(C=Cc2ccccc2C)nc2sc(C(=O)O)c(C)n2c1=O
InChIInChI=1S/C19H18N2O3S/c1-4-14-15(10-9-13-8-6-5-7-11(13)2)20-19-21(17(14)22)12(3)16(25-19)18(23)24/h5-10H,4H2,1-3H3,(H,23,24)
InChIKeyYPOFPGYVNGAFJT-UHFFFAOYSA-N
XLogP3.80
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54088831
6-chloro-3-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54062688
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531101
6-ethyl-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035945
6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914143
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200633
(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
CID 44804416
2-[2-(5-methylthiophen-2-yl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56635809
9-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-10-ethyl-11-oxo-1,8-diazatricyclo[5.4.0.02,4]undeca-5,7,9-triene-4-carboxylic acid
CID 13435086
2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
CID 54435957
(1E,4Z,6E)-5-hydroxy-1,7-bis(2-methylphenyl)hepta-1,4,6-trien-3-one
CID 11814409

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CID 54520647) is 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is CCc1c(C=Cc2ccccc2C)nc2sc(C(=O)O)c(C)n2c1=O.
What is the InChIKey of 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is YPOFPGYVNGAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-4-14-15(10-9-13-8-6-5-7-11(13)2)20-19-21(17(14)22)12(3)16(25-19)18(23)24/h5-10H,4H2,1-3H3,(H,23,24).
What are the key properties of 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 54520647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).