7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C6H5N3OS — CID 11829820

IUPAC7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNc1cc(=O)n2ccsc2n1
InChIInChI=1S/C6H5N3OS/c7-4-3-5(10)9-1-2-11-6(9)8-4/h1-3H,7H2
InChIKeyIBMIXMRIMBWZNU-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.34
Rot. Bonds

About 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 11829820) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID11829820
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNc1cc(=O)n2ccsc2n1
InChIInChI=1S/C6H5N3OS/c7-4-3-5(10)9-1-2-11-6(9)8-4/h1-3H,7H2
InChIKeyIBMIXMRIMBWZNU-UHFFFAOYSA-N
XLogP0.34
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 11829820) is 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Nc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IBMIXMRIMBWZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c7-4-3-5(10)9-1-2-11-6(9)8-4/h1-3H,7H2.
What are the key properties of 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 167.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 11829820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).