6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C20H18N2O3S — CID 4974221

IUPAC6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1Oc1nc2n(c(=O)c1Cc1ccccc1)CCS2
InChIInChI=1S/C20H18N2O3S/c1-24-16-9-5-6-10-17(16)25-18-15(13-14-7-3-2-4-8-14)19(23)22-11-12-26-20(22)21-18/h2-10H,11-13H2,1H3
InChIKeyWVNTWFOEFPDSQH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.74
Rot. Bonds5

About 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4974221) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4974221
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1Oc1nc2n(c(=O)c1Cc1ccccc1)CCS2
InChIInChI=1S/C20H18N2O3S/c1-24-16-9-5-6-10-17(16)25-18-15(13-14-7-3-2-4-8-14)19(23)22-11-12-26-20(22)21-18/h2-10H,11-13H2,1H3
InChIKeyWVNTWFOEFPDSQH-UHFFFAOYSA-N
XLogP3.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4974221) is 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccccc1Oc1nc2n(c(=O)c1Cc1ccccc1)CCS2.
What is the InChIKey of 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WVNTWFOEFPDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-16-9-5-6-10-17(16)25-18-15(13-14-7-3-2-4-8-14)19(23)22-11-12-26-20(22)21-18/h2-10H,11-13H2,1H3.
What are the key properties of 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 366.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-(2-methoxyphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4974221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).