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

C14H11Br2N3OS — CID 25189010

IUPAC2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(Br)cccc2Br)n1
InChIInChI=1S/C14H11Br2N3OS/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
InChIKeyVRVQQAXQCQKWNH-UHFFFAOYSA-N
MW429.14 g/mol
LogP4.09
Rot. Bonds2

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

2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 25189010) has the molecular formula C14H11Br2N3OS and a molecular weight of 429.14 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID25189010
Molecular FormulaC14H11Br2N3OS
Molecular Weight429.14 g/mol
Exact Mass426.90
IUPAC Name2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(Br)cccc2Br)n1
InChIInChI=1S/C14H11Br2N3OS/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
InChIKeyVRVQQAXQCQKWNH-UHFFFAOYSA-N
XLogP4.09
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.14
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Bromo-phenyl)-3-(4-methyl-pyrimidin-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 2919356
1-(2,3-Dihydroindol-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 712214
2-(2,6-Dibromophenyl)-3-(2-pyridylmethyl)thiazolidin-4-one
CID 25058725
2-(2,6-Dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
CID 25188737
2-(2,6-Dibromophenyl)-3-(4-methyl-6-trifluoromethylpyrimidin-2-yl)thiazolidin-4-one
CID 25189011
2-(2,6-Dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)thiazolidin-4-one
CID 25189012
2-(2,6-Dibromophenyl)-3-(6-methyl-2-pyridyl)thiazolidin-4-one
CID 25189015
2-(2,6-Dibromophenyl)-3-(pyrimidin-2-yl)thiazolidin-4-one
CID 25189286
2-(2,6-Dibromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)thiazolidin-4-one
CID 25189287
3-(5-Bromo-pyridin-2-yl)-2-(2,6-difluoro-phenyl)-thiazolidin-4-one
CID 501035
2-(2-Bromophenyl)-3-(5-chloropyridin-2-yl)-1,3-thiazolidin-4-one
CID 3709724
2-(2,6-Dibromophenyl)-3-(6-trifluoromethylpyridin-2-yl)thiazolidin-4-one
CID 25189008

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 25189010) is 2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is Cc1ccnc(N2C(=O)CSC2c2c(Br)cccc2Br)n1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is VRVQQAXQCQKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3OS/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-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 429.14 g/mol, XLogP of 4.09, 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-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25189010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).