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

C8H10N2OS — CID 86221258

IUPAC3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2C
InChIInChI=1S/C8H10N2OS/c1-5-3-7(11)10-6(2)4-12-8(10)9-5/h3,6H,4H2,1-2H3
InChIKeyXTHUYQJODCCXSO-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.22
Rot. Bonds

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

3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86221258) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86221258
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2C
InChIInChI=1S/C8H10N2OS/c1-5-3-7(11)10-6(2)4-12-8(10)9-5/h3,6H,4H2,1-2H3
InChIKeyXTHUYQJODCCXSO-UHFFFAOYSA-N
XLogP1.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,7-dimethyl-2,3-dihydro-[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 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86221258) is 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)SCC2C.
What is the InChIKey of 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XTHUYQJODCCXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5-3-7(11)10-6(2)4-12-8(10)9-5/h3,6H,4H2,1-2H3.
What are the key properties of 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 182.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86221258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).