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

C14H11F2N3OS — CID 513691

IUPAC2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(F)cccc2F)n1
InChIInChI=1S/C14H11F2N3OS/c1-8-5-6-17-14(18-8)19-11(20)7-21-13(19)12-9(15)3-2-4-10(12)16/h2-6,13H,7H2,1H3
InChIKeyHBUNUVXVDLOLKN-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.84
Rot. Bonds2

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

2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 513691) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID513691
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(F)cccc2F)n1
InChIInChI=1S/C14H11F2N3OS/c1-8-5-6-17-14(18-8)19-11(20)7-21-13(19)12-9(15)3-2-4-10(12)16/h2-6,13H,7H2,1H3
InChIKeyHBUNUVXVDLOLKN-UHFFFAOYSA-N
XLogP2.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 2592809
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 1154148
1-(4-Methylphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2891234
3-(4-Methyl-pyrimidin-2-ylsulfanyl)-1-m-tolyl-pyrrolidine-2,5-dione
CID 2920441
1-(4-Isopropyl-phenyl)-3-(pyrimidin-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 2931560
3-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 3838402
1-(2,3-Dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 4819309
1-(2-Methylindolin-1-yl)-2-(2-pyrimidylthio)ethanone
CID 16488278
3-(2-Pyrimidinylthio)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2950432
1-(4-Fluorophenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2918882
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(pyrimidin-2-ylthio)ethanone
CID 1084806
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 513691) is 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is Cc1ccnc(N2C(=O)CSC2c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is HBUNUVXVDLOLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-8-5-6-17-14(18-8)19-11(20)7-21-13(19)12-9(15)3-2-4-10(12)16/h2-6,13H,7H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 307.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 513691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).