2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one

C15H10Br2F3N3OS — CID 25189011

IUPAC2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(F)(F)F)nc(N2C(=O)CSC2c2c(Br)cccc2Br)n1
InChIInChI=1S/C15H10Br2F3N3OS/c1-7-5-10(15(18,19)20)22-14(21-7)23-11(24)6-25-13(23)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3
InChIKeyMXDXPXDVTLJQTC-UHFFFAOYSA-N
MW497.13 g/mol
LogP5.11
Rot. Bonds2

About 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one

2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one (PubChem CID 25189011) has the molecular formula C15H10Br2F3N3OS and a molecular weight of 497.13 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
PubChem CID25189011
Molecular FormulaC15H10Br2F3N3OS
Molecular Weight497.13 g/mol
Exact Mass494.89
IUPAC Name2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(F)(F)F)nc(N2C(=O)CSC2c2c(Br)cccc2Br)n1
InChIInChI=1S/C15H10Br2F3N3OS/c1-7-5-10(15(18,19)20)22-14(21-7)23-11(24)6-25-13(23)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3
InChIKeyMXDXPXDVTLJQTC-UHFFFAOYSA-N
XLogP5.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.13
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one (CID 25189011) is 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one is Cc1cc(C(F)(F)F)nc(N2C(=O)CSC2c2c(Br)cccc2Br)n1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is MXDXPXDVTLJQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2F3N3OS/c1-7-5-10(15(18,19)20)22-14(21-7)23-11(24)6-25-13(23)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3.
What are the key properties of 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 497.13 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25189011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).