2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

C15H13ClFN3OS — CID 513695

IUPAC2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(F)ccc(C)c2Cl)n1
InChIInChI=1S/C15H13ClFN3OS/c1-8-3-4-10(17)12(13(8)16)14-20(11(21)7-22-14)15-18-6-5-9(2)19-15/h3-6,14H,7H2,1-2H3
InChIKeyMUHWGFGWCTZGDM-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.66
Rot. Bonds2

About 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 513695) has the molecular formula C15H13ClFN3OS and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID513695
Molecular FormulaC15H13ClFN3OS
Molecular Weight337.81 g/mol
Exact Mass337.05
IUPAC Name2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(F)ccc(C)c2Cl)n1
InChIInChI=1S/C15H13ClFN3OS/c1-8-3-4-10(17)12(13(8)16)14-20(11(21)7-22-14)15-18-6-5-9(2)19-15/h3-6,14H,7H2,1-2H3
InChIKeyMUHWGFGWCTZGDM-UHFFFAOYSA-N
XLogP3.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 513695) is 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is Cc1ccnc(N2C(=O)CSC2c2c(F)ccc(C)c2Cl)n1.
What is the InChIKey of 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is MUHWGFGWCTZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3OS/c1-8-3-4-10(17)12(13(8)16)14-20(11(21)7-22-14)15-18-6-5-9(2)19-15/h3-6,14H,7H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 337.81 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 513695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).