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

C19H18N2O5S — CID 54353414

IUPAC7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESCCOc1cccc(C=Cc2nc3sc(C(=O)O)cn3c(=O)c2C)c1OC
InChIInChI=1S/C19H18N2O5S/c1-4-26-14-7-5-6-12(16(14)25-3)8-9-13-11(2)17(22)21-10-15(18(23)24)27-19(21)20-13/h5-10H,4H2,1-3H3,(H,23,24)
InChIKeyUHJVVOUAYQHJMW-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.34
Rot. Bonds6

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

7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (PubChem CID 54353414) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
PubChem CID54353414
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESCCOc1cccc(C=Cc2nc3sc(C(=O)O)cn3c(=O)c2C)c1OC
InChIInChI=1S/C19H18N2O5S/c1-4-26-14-7-5-6-12(16(14)25-3)8-9-13-11(2)17(22)21-10-15(18(23)24)27-19(21)20-13/h5-10H,4H2,1-3H3,(H,23,24)
InChIKeyUHJVVOUAYQHJMW-UHFFFAOYSA-N
XLogP3.34
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 15590886
6-chloro-7-[2-(2-chlorophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54201486
2-[(E)-2-(2-ethoxy-3-methoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531135
6-chloro-7-[2-(3,4-dimethoxyphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54461568
6-chloro-7-[2-(2-nitrophenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54403408
4-[(3-ethoxy-2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylic acid
CID 56634449
3-methyl-4-oxo-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531151
7-amino-3-[(3-ethoxy-2-methoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 54255665
(10E)-10-[(3-ethoxy-2-methoxyphenyl)methylidene]-5-ethyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 8814686
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-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
CID 169454343
3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334340

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CID 54353414) is 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is CCOc1cccc(C=Cc2nc3sc(C(=O)O)cn3c(=O)c2C)c1OC.
What is the InChIKey of 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is UHJVVOUAYQHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-4-26-14-7-5-6-12(16(14)25-3)8-9-13-11(2)17(22)21-10-15(18(23)24)27-19(21)20-13/h5-10H,4H2,1-3H3,(H,23,24).
What are the key properties of 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 54353414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).