5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C13H11N3O2S — CID 862011

IUPAC5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESNc1c(Cc2ccccc2O)c(=O)nc2sccn12
InChIInChI=1S/C13H11N3O2S/c14-11-9(7-8-3-1-2-4-10(8)17)12(18)15-13-16(11)5-6-19-13/h1-6,17H,7,14H2
InChIKeySWAARVLAOMFOKX-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.63
Rot. Bonds2

About 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 862011) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID862011
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESNc1c(Cc2ccccc2O)c(=O)nc2sccn12
InChIInChI=1S/C13H11N3O2S/c14-11-9(7-8-3-1-2-4-10(8)17)12(18)15-13-16(11)5-6-19-13/h1-6,17H,7,14H2
InChIKeySWAARVLAOMFOKX-UHFFFAOYSA-N
XLogP1.63
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 862011) is 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is Nc1c(Cc2ccccc2O)c(=O)nc2sccn12.
What is the InChIKey of 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is SWAARVLAOMFOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-11-9(7-8-3-1-2-4-10(8)17)12(18)15-13-16(11)5-6-19-13/h1-6,17H,7,14H2.
What are the key properties of 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 273.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 862011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).