2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

C15H13ClFN3O2S — CID 3012196

IUPAC2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C)nc(N2C(=O)CSC2c2c(F)cccc2Cl)n1
InChIInChI=1S/C15H13ClFN3O2S/c1-8-6-11(22-2)19-15(18-8)20-12(21)7-23-14(20)13-9(16)4-3-5-10(13)17/h3-6,14H,7H2,1-2H3
InChIKeyQCIPAKYWNDVOBP-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 3012196) has the molecular formula C15H13ClFN3O2S and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID3012196
Molecular FormulaC15H13ClFN3O2S
Molecular Weight353.81 g/mol
Exact Mass353.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C)nc(N2C(=O)CSC2c2c(F)cccc2Cl)n1
InChIInChI=1S/C15H13ClFN3O2S/c1-8-6-11(22-2)19-15(18-8)20-12(21)7-23-14(20)13-9(16)4-3-5-10(13)17/h3-6,14H,7H2,1-2H3
InChIKeyQCIPAKYWNDVOBP-UHFFFAOYSA-N
XLogP3.36
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 3012196) is 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is COc1cc(C)nc(N2C(=O)CSC2c2c(F)cccc2Cl)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is QCIPAKYWNDVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2S/c1-8-6-11(22-2)19-15(18-8)20-12(21)7-23-14(20)13-9(16)4-3-5-10(13)17/h3-6,14H,7H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 353.81 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3012196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).