6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H20N2O2S — CID 4909546

IUPAC6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(Oc2nc3n(c(=O)c2Cc2ccccc2)CCS3)cc1C
InChIInChI=1S/C21H20N2O2S/c1-14-8-9-17(12-15(14)2)25-19-18(13-16-6-4-3-5-7-16)20(24)23-10-11-26-21(23)22-19/h3-9,12H,10-11,13H2,1-2H3
InChIKeyIWBVIANHXMPOHD-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.35
Rot. Bonds4

About 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4909546) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4909546
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(Oc2nc3n(c(=O)c2Cc2ccccc2)CCS3)cc1C
InChIInChI=1S/C21H20N2O2S/c1-14-8-9-17(12-15(14)2)25-19-18(13-16-6-4-3-5-7-16)20(24)23-10-11-26-21(23)22-19/h3-9,12H,10-11,13H2,1-2H3
InChIKeyIWBVIANHXMPOHD-UHFFFAOYSA-N
XLogP4.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4909546) is 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(Oc2nc3n(c(=O)c2Cc2ccccc2)CCS3)cc1C.
What is the InChIKey of 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IWBVIANHXMPOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-8-9-17(12-15(14)2)25-19-18(13-16-6-4-3-5-7-16)20(24)23-10-11-26-21(23)22-19/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 364.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-(3,4-dimethylphenoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4909546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).