6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C7H5IN2OS — CID 66753571

IUPAC6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1I
InChIInChI=1S/C7H5IN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3
InChIKeySDVBQDFJYGFALT-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.67
Rot. Bonds

About 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66753571) has the molecular formula C7H5IN2OS and a molecular weight of 292.10 g/mol. Its IUPAC name is 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66753571
Molecular FormulaC7H5IN2OS
Molecular Weight292.10 g/mol
Exact Mass291.92
IUPAC Name6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1I
InChIInChI=1S/C7H5IN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3
InChIKeySDVBQDFJYGFALT-UHFFFAOYSA-N
XLogP1.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66753571) is 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1I.
What is the InChIKey of 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SDVBQDFJYGFALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3.
What are the key properties of 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.10 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66753571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).