7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C7H5ClN2OS — CID 2063597

IUPAC7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CCl)nc2sccn12
InChIInChI=1S/C7H5ClN2OS/c8-4-5-3-6(11)10-1-2-12-7(10)9-5/h1-3H,4H2
InChIKeyWANAHALOOUKFKI-UHFFFAOYSA-N
MW200.65 g/mol
LogP1.49
Rot. Bonds1

About 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2063597) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2063597
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CCl)nc2sccn12
InChIInChI=1S/C7H5ClN2OS/c8-4-5-3-6(11)10-1-2-12-7(10)9-5/h1-3H,4H2
InChIKeyWANAHALOOUKFKI-UHFFFAOYSA-N
XLogP1.49
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2063597) is 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CCl)nc2sccn12.
What is the InChIKey of 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WANAHALOOUKFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c8-4-5-3-6(11)10-1-2-12-7(10)9-5/h1-3H,4H2.
What are the key properties of 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 200.65 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2063597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).