3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile

C14H7N5OS — CID 1285614

IUPAC3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile
SMILESN#Cc1sc2nc(-c3ccccc3)c(C#N)c(=O)n2c1N
InChIInChI=1S/C14H7N5OS/c15-6-9-11(8-4-2-1-3-5-8)18-14-19(13(9)20)12(17)10(7-16)21-14/h1-5H,17H2
InChIKeyPXVBEEREWBHLHD-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.75
Rot. Bonds1

About 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile

3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile (PubChem CID 1285614) has the molecular formula C14H7N5OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile
PubChem CID1285614
Molecular FormulaC14H7N5OS
Molecular Weight293.31 g/mol
Exact Mass293.04
IUPAC Name3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile
SMILESN#Cc1sc2nc(-c3ccccc3)c(C#N)c(=O)n2c1N
InChIInChI=1S/C14H7N5OS/c15-6-9-11(8-4-2-1-3-5-8)18-14-19(13(9)20)12(17)10(7-16)21-14/h1-5H,17H2
InChIKeyPXVBEEREWBHLHD-UHFFFAOYSA-N
XLogP1.75
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile?
The IUPAC name of 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile (CID 1285614) is 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile.
What is the SMILES notation for 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile?
The canonical SMILES for 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile is N#Cc1sc2nc(-c3ccccc3)c(C#N)c(=O)n2c1N.
What is the InChIKey of 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile?
The InChIKey is PXVBEEREWBHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N5OS/c15-6-9-11(8-4-2-1-3-5-8)18-14-19(13(9)20)12(17)10(7-16)21-14/h1-5H,17H2.
What are the key properties of 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile?
3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile has a molecular weight of 293.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile is sourced from PubChem (CID 1285614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).