5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C21H17N3O3S — CID 46449981

IUPAC5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1COc1ccccc1)c1cnc2sccn2c1=O
InChIInChI=1S/C21H17N3O3S/c25-19(18-13-23-21-24(20(18)26)10-11-28-21)22-12-15-6-4-5-7-16(15)14-27-17-8-2-1-3-9-17/h1-11,13H,12,14H2,(H,22,25)
InChIKeyVCPKPHIOINUYQU-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.27
Rot. Bonds6

About 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46449981) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46449981
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1COc1ccccc1)c1cnc2sccn2c1=O
InChIInChI=1S/C21H17N3O3S/c25-19(18-13-23-21-24(20(18)26)10-11-28-21)22-12-15-6-4-5-7-16(15)14-27-17-8-2-1-3-9-17/h1-11,13H,12,14H2,(H,22,25)
InChIKeyVCPKPHIOINUYQU-UHFFFAOYSA-N
XLogP3.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46449981) is 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccccc1COc1ccccc1)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VCPKPHIOINUYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-19(18-13-23-21-24(20(18)26)10-11-28-21)22-12-15-6-4-5-7-16(15)14-27-17-8-2-1-3-9-17/h1-11,13H,12,14H2,(H,22,25).
What are the key properties of 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46449981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).