1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone

C10H13N3O2S — CID 121086792

IUPAC1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone
SMILESCC1SCCN1C(=O)COc1ncccn1
InChIInChI=1S/C10H13N3O2S/c1-8-13(5-6-16-8)9(14)7-15-10-11-3-2-4-12-10/h2-4,8H,5-7H2,1H3
InChIKeyOMYJMZBOIJJFIT-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.78
Rot. Bonds3

About 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone

1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone (PubChem CID 121086792) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone
PubChem CID121086792
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone
SMILESCC1SCCN1C(=O)COc1ncccn1
InChIInChI=1S/C10H13N3O2S/c1-8-13(5-6-16-8)9(14)7-15-10-11-3-2-4-12-10/h2-4,8H,5-7H2,1H3
InChIKeyOMYJMZBOIJJFIT-UHFFFAOYSA-N
XLogP0.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one
CID 122331787
1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086898
3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122331753
1-(2-methyl-1,3-thiazolidin-3-yl)hexadecan-1-one
CID 141312710
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086683
(4-butoxyphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331547
1-[(2R)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 1024512
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
(E)-1-(2-methyl-1,3-thiazolidin-3-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 122331674
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone?
The IUPAC name of 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone (CID 121086792) is 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone.
What is the SMILES notation for 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone?
The canonical SMILES for 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone is CC1SCCN1C(=O)COc1ncccn1.
What is the InChIKey of 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone?
The InChIKey is OMYJMZBOIJJFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-8-13(5-6-16-8)9(14)7-15-10-11-3-2-4-12-10/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone?
1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone has a molecular weight of 239.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazolidin-3-yl)-2-pyrimidin-2-yloxyethanone is sourced from PubChem (CID 121086792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).