2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

C16H17N3O3S — CID 513696

IUPAC2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SCC(=O)N1c1nccc(C)n1
InChIInChI=1S/C16H17N3O3S/c1-10-7-8-17-16(18-10)19-13(20)9-23-15(19)14-11(21-2)5-4-6-12(14)22-3/h4-8,15H,9H2,1-3H3
InChIKeySZQZAAFEATVEPG-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.58
Rot. Bonds4

About 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 513696) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID513696
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SCC(=O)N1c1nccc(C)n1
InChIInChI=1S/C16H17N3O3S/c1-10-7-8-17-16(18-10)19-13(20)9-23-15(19)14-11(21-2)5-4-6-12(14)22-3/h4-8,15H,9H2,1-3H3
InChIKeySZQZAAFEATVEPG-UHFFFAOYSA-N
XLogP2.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 513677
2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 513695
2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
CID 3012187
3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one
CID 513682
2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 3012196
2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 71521936
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one
CID 130464390
2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one
CID 87150687
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
2-(3,5-dichloro-4-pyridinyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 57390348
2-[3-(bromomethyl)phenyl]-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 71511614

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 513696) is 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is COc1cccc(OC)c1C1SCC(=O)N1c1nccc(C)n1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is SZQZAAFEATVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-7-8-17-16(18-10)19-13(20)9-23-15(19)14-11(21-2)5-4-6-12(14)22-3/h4-8,15H,9H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 331.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 513696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).