N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C13H9N3O2S — CID 6461437

IUPACN-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2sccn2c1=O)c1ccccc1
InChIInChI=1S/C13H9N3O2S/c17-11(9-4-2-1-3-5-9)15-10-8-14-13-16(12(10)18)6-7-19-13/h1-8H,(H,15,17)
InChIKeyVUOWRSCPVXSTLX-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.01
Rot. Bonds2

About N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 6461437) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound NameN-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID6461437
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC NameN-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2sccn2c1=O)c1ccccc1
InChIInChI=1S/C13H9N3O2S/c17-11(9-4-2-1-3-5-9)15-10-8-14-13-16(12(10)18)6-7-19-13/h1-8H,(H,15,17)
InChIKeyVUOWRSCPVXSTLX-UHFFFAOYSA-N
XLogP2.01
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 6461437) is N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is O=C(Nc1cnc2sccn2c1=O)c1ccccc1.
What is the InChIKey of N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is VUOWRSCPVXSTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-11(9-4-2-1-3-5-9)15-10-8-14-13-16(12(10)18)6-7-19-13/h1-8H,(H,15,17).
What are the key properties of N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 271.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 6461437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).