5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one

C8H7N3O2S — CID 137269308

IUPAC5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one
SMILESCOc1cc(-c2cnc(=O)[nH]c2)sn1
InChIInChI=1S/C8H7N3O2S/c1-13-7-2-6(14-11-7)5-3-9-8(12)10-4-5/h2-4H,1H3,(H,9,10,12)
InChIKeyCJFQXAFXHGRDAH-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.90
Rot. Bonds2

About 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one

5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one (PubChem CID 137269308) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one
PubChem CID137269308
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one
SMILESCOc1cc(-c2cnc(=O)[nH]c2)sn1
InChIInChI=1S/C8H7N3O2S/c1-13-7-2-6(14-11-7)5-3-9-8(12)10-4-5/h2-4H,1H3,(H,9,10,12)
InChIKeyCJFQXAFXHGRDAH-UHFFFAOYSA-N
XLogP0.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-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 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one (CID 137269308) is 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one is COc1cc(-c2cnc(=O)[nH]c2)sn1.
What is the InChIKey of 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one?
The InChIKey is CJFQXAFXHGRDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-13-7-2-6(14-11-7)5-3-9-8(12)10-4-5/h2-4H,1H3,(H,9,10,12).
What are the key properties of 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one?
5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one has a molecular weight of 209.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 137269308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).