[6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate

C17H18N2O4S — CID 17019923

IUPAC[6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate
SMILESCCOc1ccc(Cc2c(OC(C)=O)nc3n(c2=O)CCS3)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-22-13-6-4-12(5-7-13)10-14-15(23-11(2)20)18-17-19(16(14)21)8-9-24-17/h4-7H,3,8-10H2,1-2H3
InChIKeyCRGNRHOOYKVACT-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.26
Rot. Bonds5

About [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate

[6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate (PubChem CID 17019923) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate.

Molecular Properties

Compound Name[6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate
PubChem CID17019923
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate
SMILESCCOc1ccc(Cc2c(OC(C)=O)nc3n(c2=O)CCS3)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-22-13-6-4-12(5-7-13)10-14-15(23-11(2)20)18-17-19(16(14)21)8-9-24-17/h4-7H,3,8-10H2,1-2H3
InChIKeyCRGNRHOOYKVACT-UHFFFAOYSA-N
XLogP2.26
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate?
The IUPAC name of [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate (CID 17019923) is [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate.
What is the SMILES notation for [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate?
The canonical SMILES for [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate is CCOc1ccc(Cc2c(OC(C)=O)nc3n(c2=O)CCS3)cc1.
What is the InChIKey of [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate?
The InChIKey is CRGNRHOOYKVACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-22-13-6-4-12(5-7-13)10-14-15(23-11(2)20)18-17-19(16(14)21)8-9-24-17/h4-7H,3,8-10H2,1-2H3.
What are the key properties of [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate?
[6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate has a molecular weight of 346.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-ethoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-yl] acetate is sourced from PubChem (CID 17019923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).