(2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one

C16H14BrNO3S — CID 42586501

IUPAC(2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one
SMILESC[C@H]1C(=O)N(c2ccccc2)[C@H](c2ccc(Br)cc2)S1(=O)=O
InChIInChI=1S/C16H14BrNO3S/c1-11-15(19)18(14-5-3-2-4-6-14)16(22(11,20)21)12-7-9-13(17)10-8-12/h2-11,16H,1H3/t11-,16-/m0/s1
InChIKeySSZOPYVCVDKPRK-ZBEGNZNMSA-N
MW380.26 g/mol
LogP3.30
Rot. Bonds2

About (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one

(2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 42586501) has the molecular formula C16H14BrNO3S and a molecular weight of 380.26 g/mol. Its IUPAC name is (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one
PubChem CID42586501
Molecular FormulaC16H14BrNO3S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name(2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one
SMILESC[C@H]1C(=O)N(c2ccccc2)[C@H](c2ccc(Br)cc2)S1(=O)=O
InChIInChI=1S/C16H14BrNO3S/c1-11-15(19)18(14-5-3-2-4-6-14)16(22(11,20)21)12-7-9-13(17)10-8-12/h2-11,16H,1H3/t11-,16-/m0/s1
InChIKeySSZOPYVCVDKPRK-ZBEGNZNMSA-N
XLogP3.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-1-phenylazetidin-2-one
CID 22142286
(2R)-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 824881
(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one
CID 1265815
3-(4-bromophenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 2945564
(2S,6S,7S,9R,13S,14R)-7,14-bis(4-bromophenyl)-4,11-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 100817543
2-[1-(4-bromophenyl)-2-oxo-4-phenylazetidin-3-yl]isoindole-1,3-dione
CID 2855122
1-(4-bromophenyl)-4-(4-nitrophenyl)-3-phenylazetidin-2-one
CID 15159107
(2S)-3-(benzenesulfonyl)-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 95052349
(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274289
3-(benzenesulfonyl)-1-(4-bromophenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 53017674
(3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one
CID 102399005
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124503407

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one (CID 42586501) is (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one is C[C@H]1C(=O)N(c2ccccc2)[C@H](c2ccc(Br)cc2)S1(=O)=O.
What is the InChIKey of (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is SSZOPYVCVDKPRK-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H14BrNO3S/c1-11-15(19)18(14-5-3-2-4-6-14)16(22(11,20)21)12-7-9-13(17)10-8-12/h2-11,16H,1H3/t11-,16-/m0/s1.
What are the key properties of (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one?
(2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 380.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42586501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).